1-(4-methylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]ethanone Openeye Name: 1-(p-tolyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]ethanone CAS Name: 1-(4-methylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]ethanone Traditional Name: 1-(p-tolyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]ethanone Formula: C12H12N2O3S3 MolecularWeight: 328.43028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CS(=O)(=O)CC2=NNC(=S)S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CS(=O)(=O)CC2=NNC(=S)S2

InChI

InChI=1S/C12H12N2O3S3/c1-8-2-4-9(5-3-8)10(15)6-20(16,17)7-11-13-14-12(18)19-11/h2-5H,6-7H2,1H3,(H,14,18)