2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-propylphenyl)ethanone

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-propylphenyl)ethanone CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-propylphenyl)ethanone Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-1-(4-propylphenyl)ethanone Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-2-6-14-9-11-15(12-10-14)17(23)13-24-18-19-20-21-22(18)16-7-4-3-5-8-16/h3-5,7-12H,2,6,13H2,1H3