N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C20H21N5O2S/c1-14-3-9-17(10-4-14)23-18(26)11-25(2)19(27)16-7-5-15(6-8-16)12-28-20-21-13-22-24-20/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,21,22,24)