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

Systemtic Name: [1,5-dimethyl-3-oxidanylidene-2-(2-thiocyanatophenyl)pyrazol-4-yl] thiocyanate Openeye Name: [1,5-dimethyl-3-oxo-2-(2-thiocyanatophenyl)pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1,5-dimethyl-3-oxo-2-(2-thiocyanatophenyl)-4-pyrazolyl] ester IUPAC Name: [1,5-dimethyl-3-oxo-2-(2-thiocyanatophenyl)pyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [3-keto-1,5-dimethyl-2-(2-thiocyanatophenyl)-3-pyrazolin-4-yl] ester Formula: C13H10N4OS2 MolecularWeight: 302.3747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2SC#N)SC#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2SC#N)SC#N

InChI

InChI=1S/C13H10N4OS2/c1-9-12(20-8-15)13(18)17(16(9)2)10-5-3-4-6-11(10)19-7-14/h3-6H,1-2H3