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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide CAS Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-3-[(methylthio)methyl]-4-triazolecarboxamide IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]-N-p-phenetyl-triazole-4-carboxamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(N=NN2CSC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(N=NN2CSC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N4O4S/c1-5-29-16-9-7-15(8-10-16)22-21(26)20-19(23-24-25(20)13-30-4)14-6-11-17(27-2)18(12-14)28-3/h6-12H,5,13H2,1-4H3,(H,22,26)