[1,5-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-pyrazol-4-yl] thiocyanate

Systemtic Name: [1,5-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-pyrazol-4-yl] thiocyanate Openeye Name: [1,5-dimethyl-3-oxo-2-(p-tolyl)pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1,5-dimethyl-2-(4-methylphenyl)-3-oxo-4-pyrazolyl] ester IUPAC Name: [1,5-dimethyl-2-(4-methylphenyl)-3-oxopyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [3-keto-1,5-dimethyl-2-(p-tolyl)-3-pyrazolin-4-yl] ester Formula: C13H13N3OS MolecularWeight: 259.32682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2C)C)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2C)C)SC#N

InChI

InChI=1S/C13H13N3OS/c1-9-4-6-11(7-5-9)16-13(17)12(18-8-14)10(2)15(16)3/h4-7H,1-3H3