methyl 2-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxo-pyridazin-1-yl]benzoyl]amino]benzoate CAS Name: 2-[[[4-[3-[(4-fluorophenyl)thio]-6-oxo-1-pyridazinyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzoyl]amino]benzoate Traditional Name: 2-[[4-[3-[(4-fluorophenyl)thio]-6-keto-pyridazin-1-yl]benzoyl]amino]benzoic acid methyl ester Formula: C25H18FN3O4S MolecularWeight: 475.491523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)F

InChI

InChI=1S/C25H18FN3O4S/c1-33-25(32)20-4-2-3-5-21(20)27-24(31)16-6-10-18(11-7-16)29-23(30)15-14-22(28-29)34-19-12-8-17(26)9-13-19/h2-15H,1H3,(H,27,31)