Molecule Editor

Molecule ID: FYI-1004445 Edit

Molecule Structure InChIKey: QMVMDCQJYKKNHM-UHFFFAOYSA-N

Molecule Structure SMILES String: CSC(=O)C1NCNC1SNC3NCc2cc(SC)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004445
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.8531    7.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    6.5971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    6.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    7.1665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.9137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    5.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    4.2679    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    2.8986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7128    0.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9286    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3286    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0286    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4286    2.2529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1286    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3286    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 22 21  2  0  0  0  0
 22 15  1  0  0  0  0
 22 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004445-3D
FYIcenter.com

 42 44  0  0  1  0  0  0  0  0999 V2000
    1.9263    0.8394    1.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    0.4202    1.0095 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0540    1.7910   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    2.6642   -0.2937 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4944    1.7306   -0.5757 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2213    3.0042   -0.3113 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    3.8016   -1.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8861    2.8891   -2.6202 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6180    1.5458   -2.0890 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2077    0.7976   -2.9633 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -0.8057   -2.5123 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3537   -1.7667   -3.0800 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4680   -2.9791   -2.2446 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -4.1288   -3.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8300   -3.5691   -4.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482   -4.2359   -5.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883   -3.4895   -6.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2769   -4.2156   -8.5431 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519   -5.6335   -8.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1820   -0.9231   -1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1512   -5.3123   -5.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5109   -0.3692   -5.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$