| Properties | Image |
| MNX_ID | MNXM341131 |
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| reference | chebi:114714 |
| formula | C16H16ClN3O2S |
| global charge | 0 |
| mol weight | 349.843 |
| InChIKey | NHOMQKHBWQCVLD-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H16ClN3O2S/c1-10-7-8-14(22-2)13(9-10)18-16(23)20-19-15(21)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,19,21)(H2,18,20,23) |
| SMILES | COC1=C(NC(=S)NNC(=O)C2=CC=CC=C2Cl)C=C(C)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C16H16ClN3O2S/c1-10-7-8-14(22-2)13(9-10)18-16(23)20-19-15(21)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,19,21)(H2,18,20,23) |
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| SMILES (mnx) | [CH3:1][C:10]1=[CH:9][C:13]([N:18]=[C:16]([NH:20][N:19]=[C:15]([C:11]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:12]2[Cl:17])[OH:21])[SH:23])=[C:14]([O:22][CH3:2])[CH:8]=[CH:7]1 |
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