N-(2-methyl-2-phenyl-propyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(2-methyl-2-phenyl-propyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(2-methyl-2-phenyl-propyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(2-methyl-2-phenylpropyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(2-methyl-2-phenylpropyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-neophyl-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC(C)(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC(C)(C)C3=CC=CC=C3

InChI

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