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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-phenethyl-acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H22N4O2S/c1-2-3-11-20-15(22)18-19-16(20)23-12-14(21)17-10-9-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,21)(H,18,22)