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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide CAS Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-[(methylthio)methyl]-4-triazolecarboxamide IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 5-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-[(methylthio)methyl]triazole-4-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(N=NN2CSC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(N=NN2CSC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N4O3S/c1-5-14-6-9-16(10-7-14)22-21(26)20-19(23-24-25(20)13-29-4)15-8-11-17(27-2)18(12-15)28-3/h6-12H,5,13H2,1-4H3,(H,22,26)