3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenylbutyl)propanamide

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenylbutyl)propanamide Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenylbutyl)propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenylbutyl)propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenylbutyl)propanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenylbutyl)propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCN1C(=NNC1=S)C2=CC(=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CCN1C(=NNC1=S)C2=CC(=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-3-17(18-9-5-4-6-10-18)15-23-20(27)12-13-26-21(24-25-22(26)28)19-11-7-8-16(2)14-19/h4-11,14,17H,3,12-13,15H2,1-2H3,(H,23,27)(H,25,28)