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

Systemtic Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-15-9-11-19(12-10-15)22-20(26)16(2)27-21-24-23-17(3)25(21)14-13-18-7-5-4-6-8-18/h4-12,16H,13-14H2,1-3H3,(H,22,26)