2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-6-[4-(trifluoromethyl)phenyl]sulfanyl-pyridazine-4-carbonitrile

Systemtic Name: 2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-6-[4-(trifluoromethyl)phenyl]sulfanyl-pyridazine-4-carbonitrile Openeye Name: 2-(4-methoxyphenyl)-5-methyl-3-oxo-6-[4-(trifluoromethyl)phenyl]sulfanyl-pyridazine-4-carbonitrile CAS Name: 2-(4-methoxyphenyl)-5-methyl-3-oxo-6-[[4-(trifluoromethyl)phenyl]thio]-4-pyridazinecarbonitrile IUPAC Name: 2-(4-methoxyphenyl)-5-methyl-3-oxo-6-[4-(trifluoromethyl)phenyl]sulfanylpyridazine-4-carbonitrile Traditional Name: 3-keto-2-(4-methoxyphenyl)-5-methyl-6-[[4-(trifluoromethyl)phenyl]thio]pyridazine-4-carbonitrile Formula: C20H14F3N3O2S MolecularWeight: 417.40427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1SC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1SC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C20H14F3N3O2S/c1-12-17(11-24)19(27)26(14-5-7-15(28-2)8-6-14)25-18(12)29-16-9-3-13(4-10-16)20(21,22)23/h3-10H,1-2H3