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

Systemtic Name: N-(3,3-dimethyl-1-phenyl-butyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(3,3-dimethyl-1-phenyl-butyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(3,3-dimethyl-1-phenylbutyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(3,3-dimethyl-1-phenylbutyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(3,3-dimethyl-1-phenyl-butyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-16-10-12-18(13-11-16)21-25-26-22(29)27(21)15-20(28)24-19(14-23(2,3)4)17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,24,28)(H,26,29)