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

Systemtic Name: [(3Z)-4,5-dimethyl-3-(4-methylphenyl)sulfonylimino-6-oxidanylidene-cyclohexa-1,4-dien-1-yl] thiocyanate Openeye Name: [(3Z)-4,5-dimethyl-6-oxo-3-(p-tolylsulfonylimino)cyclohexa-1,4-dien-1-yl] thiocyanate CAS Name: thiocyanic acid [(3Z)-4,5-dimethyl-3-(4-methylphenyl)sulfonylimino-6-oxo-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [(3Z)-4,5-dimethyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate Traditional Name: thiocyanic acid [(3Z)-6-keto-4,5-dimethyl-3-tosylimino-cyclohexa-1,4-dien-1-yl] ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C=C(C(=O)C(=C2C)C)SC#N

InChI

InChI=1S/C16H14N2O3S2/c1-10-4-6-13(7-5-10)23(20,21)18-14-8-15(22-9-17)16(19)12(3)11(14)2/h4-8H,1-3H3/b18-14-