[3-(4-methylphenyl)imino-6-oxidanylidene-5-thiocyanato-cyclohexa-1,4-dien-1-yl] thiocyanate

Systemtic Name: [3-(4-methylphenyl)imino-6-oxidanylidene-5-thiocyanato-cyclohexa-1,4-dien-1-yl] thiocyanate Openeye Name: [6-oxo-3-(p-tolylimino)-5-thiocyanato-cyclohexa-1,4-dien-1-yl] thiocyanate CAS Name: thiocyanic acid [3-(4-methylphenyl)imino-6-oxo-5-thiocyanato-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [3-(4-methylphenyl)imino-6-oxo-5-thiocyanatocyclohexa-1,4-dien-1-yl] thiocyanate Traditional Name: thiocyanic acid [6-keto-3-(p-tolylimino)-5-thiocyanato-cyclohexa-1,4-dien-1-yl] ester Formula: C15H9N3OS2 MolecularWeight: 311.38146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9N3OS2/c1-10-2-4-11(5-3-10)18-12-6-13(20-8-16)15(19)14(7-12)21-9-17/h2-7H,1H3