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

Systemtic Name: ethyl 4-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxo-pyridazin-1-yl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[3-[(4-fluorophenyl)thio]-6-oxo-1-pyridazinyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzoyl]amino]benzoate Traditional Name: 4-[[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=C(C=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=C(C=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)18-3-9-20(10-4-18)28-25(32)17-5-11-21(12-6-17)30-24(31)16-15-23(29-30)35-22-13-7-19(27)8-14-22/h3-16H,2H2,1H3,(H,28,32)