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

Systemtic Name: N-(3-heptyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Openeye Name: N-(3-heptyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzamide CAS Name: N-(3-heptyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide IUPAC Name: N-(3-heptyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Traditional Name: N-(3-heptyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzamide Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-2-3-4-5-9-12-14-17-18-16(22)20(14)19-15(21)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,18,22)(H,19,21)