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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)SC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)SC)N)OC

InChI

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