3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C24H29ClN4OS MolecularWeight: 457.03126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NC2=C(C=CC=C2CC)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NC2=C(C=CC=C2CC)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN4OS/c1-4-6-15-28-23(19-10-12-20(25)13-11-19)27-29(24(28)31)16-14-21(30)26-22-17(3)8-7-9-18(22)5-2/h7-13H,4-6,14-16H2,1-3H3,(H,26,30)