[5-(3-acetamidophenyl)-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl] thiocyanate

Systemtic Name: [5-(3-acetamidophenyl)-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl] thiocyanate Openeye Name: [5-(3-acetamidophenyl)-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [5-(3-acetamidophenyl)-1-methyl-3-oxo-2-phenyl-4-pyrazolyl] ester IUPAC Name: [5-(3-acetamidophenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-(3-acetamidophenyl)-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl] ester Formula: C19H16N4O2S MolecularWeight: 364.42094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=C(C(=O)N(N2C)C3=CC=CC=C3)SC#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=C(C(=O)N(N2C)C3=CC=CC=C3)SC#N

InChI

InChI=1S/C19H16N4O2S/c1-13(24)21-15-8-6-7-14(11-15)17-18(26-12-20)19(25)23(22(17)2)16-9-4-3-5-10-16/h3-11H,1-2H3,(H,21,24)