2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-chlorophenyl)propanamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-chlorophenyl)propionamide Formula: C15H19ClN4O2S MolecularWeight: 354.85496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C15H19ClN4O2S/c1-3-4-9-20-14(22)18-19-15(20)23-10(2)13(21)17-12-8-6-5-7-11(12)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,21)(H,18,22)