[4-[(2-ethyl-3-oxidanylidene-5,6-diphenyl-pyridazin-4-yl)carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[(2-ethyl-3-oxidanylidene-5,6-diphenyl-pyridazin-4-yl)carbonylamino]phenyl] thiocyanate Openeye Name: [4-[(2-ethyl-3-oxo-5,6-diphenyl-pyridazine-4-carbonyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(2-ethyl-3-oxo-5,6-diphenyl-4-pyridazinyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(2-ethyl-3-keto-5,6-diphenyl-pyridazine-4-carbonyl)amino]phenyl] ester Formula: C26H20N4O2S MolecularWeight: 452.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC#N

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC#N

InChI

InChI=1S/C26H20N4O2S/c1-2-30-26(32)23(25(31)28-20-13-15-21(16-14-20)33-17-27)22(18-9-5-3-6-10-18)24(29-30)19-11-7-4-8-12-19/h3-16H,2H2,1H3,(H,28,31)