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

Systemtic Name: [1-(3-cyanophenyl)-2,3-dimethyl-5-oxidanylidene-pyrazol-4-yl] thiocyanate Openeye Name: [1-(3-cyanophenyl)-2,3-dimethyl-5-oxo-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1-(3-cyanophenyl)-2,3-dimethyl-5-oxo-4-pyrazolyl] ester IUPAC Name: [1-(3-cyanophenyl)-2,3-dimethyl-5-oxopyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [1-(3-cyanophenyl)-5-keto-2,3-dimethyl-3-pyrazolin-4-yl] ester Formula: C13H10N4OS MolecularWeight: 270.3097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC(=C2)C#N)SC#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC(=C2)C#N)SC#N

InChI

InChI=1S/C13H10N4OS/c1-9-12(19-8-15)13(18)17(16(9)2)11-5-3-4-10(6-11)7-14/h3-6H,1-2H3