1-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]decan-1-one

Systemtic Name: 1-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]decan-1-one Openeye Name: 1-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]decan-1-one CAS Name: 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]-1-decanone IUPAC Name: 1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]decan-1-one Traditional Name: 1-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]decan-1-one Formula: C17H24N4OS MolecularWeight: 332.46366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2

Isomeric SMILES

CCCCCCCCCC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2

InChI

InChI=1S/C17H24N4OS/c1-2-3-4-5-6-7-8-12-16(22)14-10-9-11-15(13-14)21-17(23)18-19-20-21/h9-11,13H,2-8,12H2,1H3,(H,18,20,23)