N-(4-aminocarbonylphenyl)-5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-carbamoylphenyl)-5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-carbamoylphenyl)-5-(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-carbamoylphenyl)-5-(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]triazole-4-carboxamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=N2)CSC)C(=O)NC3=CC=C(C=C3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=N2)CSC)C(=O)NC3=CC=C(C=C3)C(=O)N)OC

InChI

InChI=1S/C20H21N5O4S/c1-28-15-9-6-13(10-16(15)29-2)17-18(25(11-30-3)24-23-17)20(27)22-14-7-4-12(5-8-14)19(21)26/h4-10H,11H2,1-3H3,(H2,21,26)(H,22,27)