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

Systemtic Name: (1-ethyl-5-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl) thiocyanate Openeye Name: (1-ethyl-5-methyl-3-oxo-2-phenyl-pyrazol-4-yl) thiocyanate CAS Name: thiocyanic acid (1-ethyl-5-methyl-3-oxo-2-phenyl-4-pyrazolyl) ester IUPAC Name: (1-ethyl-5-methyl-3-oxo-2-phenylpyrazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (1-ethyl-3-keto-5-methyl-2-phenyl-3-pyrazolin-4-yl) ester Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2=CC=CC=C2)SC#N)C

Isomeric SMILES

CCN1C(=C(C(=O)N1C2=CC=CC=C2)SC#N)C

InChI

InChI=1S/C13H13N3OS/c1-3-15-10(2)12(18-9-14)13(17)16(15)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3