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

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count32
Aromatic Bond Count16
2D diagram of WMM

Chemical Component Summary

NameN-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
FormulaC12 H11 N5 S2
Molecular Weight289.379
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(csc1Nc2ccccc2)CSc3nncn3
SMILESCACTVS3.370C(Sc1[nH]cnn1)c2csc(Nc3ccccc3)n2
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3
Canonical SMILESCACTVS3.370 C(Sc1[nH]cnn1)c2csc(Nc3ccccc3)n2
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3
InChIInChI1.03 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)
InChIKeyInChI1.03 WLZCMHNSPJKOQN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2366268
ChEMBL CHEMBL1511860