2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(p-tolyl)ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(p-tolyl)ethanone Formula: C13H14N4OS MolecularWeight: 274.34146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3CC3

InChI

InChI=1S/C13H14N4OS/c1-9-2-4-10(5-3-9)12(18)8-19-13-14-15-16-17(13)11-6-7-11/h2-5,11H,6-8H2,1H3