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

Systemtic Name: (1,5-dimethyl-2-naphthalen-1-yl-3-oxidanylidene-pyrazol-4-yl) thiocyanate Openeye Name: [1,5-dimethyl-2-(1-naphthyl)-3-oxo-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1,5-dimethyl-2-(1-naphthalenyl)-3-oxo-4-pyrazolyl] ester IUPAC Name: (1,5-dimethyl-2-naphthalen-1-yl-3-oxopyrazol-4-yl) thiocyanate Traditional Name: thiocyanic acid [3-keto-1,5-dimethyl-2-(1-naphthyl)-3-pyrazolin-4-yl] ester Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC3=CC=CC=C32)SC#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC3=CC=CC=C32)SC#N

InChI

InChI=1S/C16H13N3OS/c1-11-15(21-10-17)16(20)19(18(11)2)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3