N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)propanamide

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)propanamide Openeye Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)propanamide CAS Name: N-[[4-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)propanamide IUPAC Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)propanamide Traditional Name: N-[[4-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C21H24N4O2S/c1-15-4-6-16(7-5-15)8-13-20(26)22-14-19-23-24-21(28-3)25(19)17-9-11-18(27-2)12-10-17/h4-7,9-12H,8,13-14H2,1-3H3,(H,22,26)