[(3E)-5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxidanylidene-cyclohexa-1,4-dien-1-yl] thiocyanate

Systemtic Name: [(3E)-5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxidanylidene-cyclohexa-1,4-dien-1-yl] thiocyanate Openeye Name: [(3E)-5-methyl-6-oxo-3-(p-tolylsulfonylimino)cyclohexa-1,4-dien-1-yl] thiocyanate CAS Name: thiocyanic acid [(3E)-5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxo-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [(3E)-5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate Traditional Name: thiocyanic acid [(3E)-6-keto-5-methyl-3-tosylimino-cyclohexa-1,4-dien-1-yl] ester Formula: C15H12N2O3S2 MolecularWeight: 332.39738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)SC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C(=C2)SC#N)C

InChI

InChI=1S/C15H12N2O3S2/c1-10-3-5-13(6-4-10)22(19,20)17-12-7-11(2)15(18)14(8-12)21-9-16/h3-8H,1-2H3/b17-12+