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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(4-mesylphenyl)ethanone Formula: C13H14N4O3S2 MolecularWeight: 338.40526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S2/c1-22(19,20)11-6-2-9(3-7-11)12(18)8-21-13-14-15-16-17(13)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3