WMM
N-phenyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine
Created: | 2013-01-22 |
Last modified: | 2017-01-18 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 32 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | N-phenyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine |
Systematic Name (OpenEye OEToolkits) | N-phenyl-4-(4H-1,2,4-triazol-3-ylsulfanylmethyl)-1,3-thiazol-2-amine |
Formula | C12 H11 N5 S2 |
Molecular Weight | 289.379 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(csc1Nc2ccccc2)CSc3nncn3 |
SMILES | CACTVS | 3.370 | C(Sc1[nH]cnn1)c2csc(Nc3ccccc3)n2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3 |
Canonical SMILES | CACTVS | 3.370 | C(Sc1[nH]cnn1)c2csc(Nc3ccccc3)n2 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3 |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 2366268 |
ChEMBL | CHEMBL1511860 |