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

Systemtic Name: (5-azanyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl) thiocyanate Openeye Name: (5-amino-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl) thiocyanate CAS Name: thiocyanic acid (5-amino-1-methyl-3-oxo-2-phenyl-4-pyrazolyl) ester IUPAC Name: (5-amino-1-methyl-3-oxo-2-phenylpyrazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (5-amino-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl) ester Formula: C11H10N4OS MolecularWeight: 246.2883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)SC#N)N

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)SC#N)N

InChI

InChI=1S/C11H10N4OS/c1-14-10(13)9(17-7-12)11(16)15(14)8-5-3-2-4-6-8/h2-6H,13H2,1H3