N-(3-heptyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-phenyl-ethanamide

Systemtic Name: N-(3-heptyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-phenyl-ethanamide Openeye Name: N-(3-heptyl-5-thioxo-1H-1,2,4-triazol-4-yl)-2-phenyl-acetamide CAS Name: N-(3-heptyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-phenylacetamide IUPAC Name: N-(3-heptyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-phenylacetamide Traditional Name: N-(3-heptyl-5-thioxo-1H-1,2,4-triazol-4-yl)-2-phenyl-acetamide Formula: C17H24N4OS MolecularWeight: 332.46366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NNC(=S)N1NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=NNC(=S)N1NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H24N4OS/c1-2-3-4-5-9-12-15-18-19-17(23)21(15)20-16(22)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,19,23)(H,20,22)