[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClN3O4S/c1-2-3-14-27-22(29)13-12-19(26-27)23(30)31-15-21(28)25-18-6-4-5-7-20(18)32-17-10-8-16(24)9-11-17/h4-13H,2-3,14-15H2,1H3,(H,25,28)