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

Systemtic Name: ethyl 3-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxo-pyridazin-1-yl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[3-[(4-fluorophenyl)thio]-6-oxo-1-pyridazinyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[3-[(4-fluorophenyl)thio]-6-keto-pyridazin-1-yl]benzoyl]amino]benzoic acid ethyl ester Formula: C26H20FN3O4S MolecularWeight: 489.518103

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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)F

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)F

InChI

InChI=1S/C26H20FN3O4S/c1-2-34-26(33)18-4-3-5-20(16-18)28-25(32)17-6-10-21(11-7-17)30-24(31)15-14-23(29-30)35-22-12-8-19(27)9-13-22/h3-16H,2H2,1H3,(H,28,32)