(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl) thiocyanate

Systemtic Name: (5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl) thiocyanate Openeye Name: (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl) thiocyanate CAS Name: thiocyanic acid (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl) ester IUPAC Name: (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl) ester Formula: C11H9N3OS MolecularWeight: 231.27366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC#N

InChI

InChI=1S/C11H9N3OS/c1-8-10(16-7-12)11(15)14(13-8)9-5-3-2-4-6-9/h2-6,13H,1H3