ethyl 3-[[4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzoyl]amino]benzoic acid ethyl ester Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)C

InChI

InChI=1S/C27H23N3O4S/c1-3-34-27(33)20-5-4-6-21(17-20)28-26(32)19-9-11-22(12-10-19)30-25(31)16-15-24(29-30)35-23-13-7-18(2)8-14-23/h4-17H,3H2,1-2H3,(H,28,32)