N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-3-[(methylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-3-[(methylthio)methyl]triazole-4-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C(N=NN2CSC)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C(N=NN2CSC)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H22N4O2S/c1-13-6-5-7-17(14(13)2)21-20(25)19-18(22-23-24(19)12-27-4)15-8-10-16(26-3)11-9-15/h5-11H,12H2,1-4H3,(H,21,25)