WMM
Summary
| Name: | N-phenyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine |
| Formula: | C12 H11 N5 S2 |
| Formal charge: | 0 |
| Formula weight: | 289.379 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-phenyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine |
| OpenEye OEToolkits | 1.7.6 | N-phenyl-4-(4H-1,2,4-triazol-3-ylsulfanylmethyl)-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(csc1Nc2ccccc2)CSc3nncn3 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5S2/c1-2-4-9(5-3-1)15-12-16-10(7-19-12)6-18-11-13-8-14-17-11/h1-5,7-8H,6H2,(H,15,16)(H,13,14,17) |
| InChIKey | InChI | 1.03 | WLZCMHNSPJKOQN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C(Sc1[nH]cnn1)c2csc(Nc3ccccc3)n2 |
| SMILES | CACTVS | 3.370 | C(Sc1[nH]cnn1)c2csc(Nc3ccccc3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3 |
