5-azanyl-N-(3,4-dimethoxyphenyl)-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(3,4-dimethoxyphenyl)-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(3,4-dimethoxyphenyl)-1-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-N-(3,4-dimethoxyphenyl)-1-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(3,4-dimethoxyphenyl)-1-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-N-(3,4-dimethoxyphenyl)-1-[3-(methylthio)phenyl]triazole-4-carboxamide Formula: C18H19N5O3S MolecularWeight: 385.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)SC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)SC)N)OC

InChI

InChI=1S/C18H19N5O3S/c1-25-14-8-7-11(9-15(14)26-2)20-18(24)16-17(19)23(22-21-16)12-5-4-6-13(10-12)27-3/h4-10H,19H2,1-3H3,(H,20,24)