5-[[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethyl]sulfonylmethyl]-3H-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-[[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethyl]sulfonylmethyl]-3H-1,3,4-oxadiazole-2-thione Openeye Name: 1-(p-tolyl)-2-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methylsulfonyl]ethanone oxime CAS Name: 1-(4-methylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfonyl]ethanone oxime IUPAC Name: 5-[[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethyl]sulfonylmethyl]-3H-1,3,4-oxadiazole-2-thione Traditional Name: 1-(p-tolyl)-2-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methylsulfonyl]ethanone oxime Formula: C12H13N3O4S2 MolecularWeight: 327.37932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NO)CS(=O)(=O)CC2=NNC(=S)O2

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N\O)/CS(=O)(=O)CC2=NNC(=S)O2

InChI

InChI=1S/C12H13N3O4S2/c1-8-2-4-9(5-3-8)10(15-16)6-21(17,18)7-11-13-14-12(20)19-11/h2-5,16H,6-7H2,1H3,(H,14,20)/b15-10-