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

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-[4-(trifluoromethyloxy)phenyl]benzamide Openeye Name: 4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-[4-(trifluoromethoxy)phenyl]benzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide Formula: C25H18F3N3O3S MolecularWeight: 497.48893

Click to see the large picture

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=C(C=C4)OC(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=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C25H18F3N3O3S/c1-16-2-12-21(13-3-16)35-22-14-15-23(32)31(30-22)19-8-4-17(5-9-19)24(33)29-18-6-10-20(11-7-18)34-25(26,27)28/h2-15H,1H3,(H,29,33)