zinc; [1,5-dimethyl-3-oxidanylidene-2-(2-thiocyanatophenyl)pyrazol-4-yl] thiocyanate; 1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: zinc; [1,5-dimethyl-3-oxidanylidene-2-(2-thiocyanatophenyl)pyrazol-4-yl] thiocyanate; 1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: zinc; [1,5-dimethyl-3-oxo-2-(2-thiocyanatophenyl)pyrazol-4-yl] thiocyanate; 1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: zinc; 1,5-dimethyl-2-phenyl-3-pyrazolone; thiocyanic acid [1,5-dimethyl-3-oxo-2-(2-thiocyanatophenyl)-4-pyrazolyl] ester IUPAC Name: zinc; [1,5-dimethyl-3-oxo-2-(2-thiocyanatophenyl)pyrazol-4-yl] thiocyanate; 1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: zinc; antipyrine; thiocyanic acid [3-keto-1,5-dimethyl-2-(2-thiocyanatophenyl)-3-pyrazolin-4-yl] ester Formula: C24H22N6O2S2Zn+2 MolecularWeight: 556.00948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC1=C(C(=O)N(N1C)C2=CC=CC=C2SC#N)SC#N.[Zn+2]

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC1=C(C(=O)N(N1C)C2=CC=CC=C2SC#N)SC#N.[Zn+2]

InChI

InChI=1S/C13H10N4OS2.C11H12N2O.Zn/c1-9-12(20-8-15)13(18)17(16(9)2)10-5-3-4-6-11(10)19-7-14;1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;/h3-6H,1-2H3;3-8H,1-2H3;/q;;+2