methyl 4-(4-methylphenyl)sulfanyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)sulfanyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: methyl 6-oxo-4-(p-tolylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 4-[(4-methylphenyl)thio]-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)sulfanyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 6-keto-4-(p-tolylthio)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid methyl ester Formula: C20H15F3N2O3S MolecularWeight: 420.40491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=O)N(N=C2C(=O)OC)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=O)N(N=C2C(=O)OC)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O3S/c1-12-6-8-15(9-7-12)29-16-11-17(26)25(24-18(16)19(27)28-2)14-5-3-4-13(10-14)20(21,22)23/h3-11H,1-2H3