4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C25H18F3N3O2S MolecularWeight: 481.48953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H18F3N3O2S/c1-16-5-11-21(12-6-16)34-22-13-14-23(32)31(30-22)20-9-7-17(8-10-20)24(33)29-19-4-2-3-18(15-19)25(26,27)28/h2-15H,1H3,(H,29,33)