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

Systemtic Name: N-(3-methylphenyl)-2-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-isobutyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-isobutyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-17(2)15-27-21(13-12-19-9-5-4-6-10-19)25-26-23(27)29-16-22(28)24-20-11-7-8-18(3)14-20/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,24,28)