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

Systemtic Name: (3-acetamido-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl) thiocyanate Openeye Name: (3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl) thiocyanate CAS Name: thiocyanic acid (3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl) ester IUPAC Name: (3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (3-acetamido-5-keto-1-phenyl-2-pyrazolin-4-yl) ester Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1SC#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1SC#N)C2=CC=CC=C2

InChI

InChI=1S/C12H10N4O2S/c1-8(17)14-11-10(19-7-13)12(18)16(15-11)9-5-3-2-4-6-9/h2-6,10H,1H3,(H,14,15,17)