1-(4-methylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-methylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(p-tolyl)propan-1-one CAS Name: 1-(4-methylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-1-(p-tolyl)propan-1-one Formula: C17H16N4OS MolecularWeight: 324.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-12-8-10-14(11-9-12)16(22)13(2)23-17-18-19-20-21(17)15-6-4-3-5-7-15/h3-11,13H,1-2H3