6-methyl-2-[(5-oxidanylidene-1,4-dihydropyrazol-3-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[(5-oxidanylidene-1,4-dihydropyrazol-3-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[(5-oxo-1,4-dihydropyrazol-3-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[(5-oxo-1,4-dihydropyrazol-3-yl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[(5-oxo-1,4-dihydropyrazol-3-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(5-keto-2-pyrazolin-3-yl)methylthio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C12H9F3N4OS MolecularWeight: 314.28627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=NNC(=O)C2

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=NNC(=O)C2

InChI

InChI=1S/C12H9F3N4OS/c1-6-2-9(12(13,14)15)8(4-16)11(17-6)21-5-7-3-10(20)19-18-7/h2H,3,5H2,1H3,(H,19,20)