ethyl 2-(4-chlorophenyl)-3-oxidanylidene-5-phenyl-6-thiocyanato-pyridazine-4-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)-3-oxidanylidene-5-phenyl-6-thiocyanato-pyridazine-4-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-3-oxo-5-phenyl-6-thiocyanato-pyridazine-4-carboxylate CAS Name: 2-(4-chlorophenyl)-3-oxo-5-phenyl-6-thiocyanato-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-3-oxo-5-phenyl-6-thiocyanatopyridazine-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-3-keto-5-phenyl-6-thiocyanato-pyridazine-4-carboxylic acid ethyl ester Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN(C1=O)C2=CC=C(C=C2)Cl)SC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=NN(C1=O)C2=CC=C(C=C2)Cl)SC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H14ClN3O3S/c1-2-27-20(26)17-16(13-6-4-3-5-7-13)18(28-12-22)23-24(19(17)25)15-10-8-14(21)9-11-15/h3-11H,2H2,1H3