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

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)propanamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)propanamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)propanamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)propanamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)propionamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2S/c1-21-11-13-23(14-12-21)15-16-27(33)29-20-26-30-31-28(35-18-17-22-7-4-3-5-8-22)32(26)24-9-6-10-25(19-24)34-2/h3-14,19H,15-18,20H2,1-2H3,(H,29,33)