(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl) thiocyanate

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl) thiocyanate Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl) thiocyanate CAS Name: thiocyanic acid (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl) ester IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl) ester Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3OS/c1-9-11(17-8-13)12(16)15(14(9)2)10-6-4-3-5-7-10/h3-7H,1-2H3