6-[bis(fluoranyl)methyl]-2-[(4-bromanylpyrazol-1-yl)methylsulfanyl]-4-methyl-pyridine-3-carbonitrile

Systemtic Name: 6-[bis(fluoranyl)methyl]-2-[(4-bromanylpyrazol-1-yl)methylsulfanyl]-4-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-bromopyrazol-1-yl)methylsulfanyl]-6-(difluoromethyl)-4-methyl-pyridine-3-carbonitrile CAS Name: 2-[(4-bromo-1-pyrazolyl)methylthio]-6-(difluoromethyl)-4-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-bromopyrazol-1-yl)methylsulfanyl]-6-(difluoromethyl)-4-methylpyridine-3-carbonitrile Traditional Name: 2-[(4-bromopyrazol-1-yl)methylthio]-6-(difluoromethyl)-4-methyl-nicotinonitrile Formula: C12H9BrF2N4S MolecularWeight: 359.192466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCN2C=C(C=N2)Br)C(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCN2C=C(C=N2)Br)C(F)F

InChI

InChI=1S/C12H9BrF2N4S/c1-7-2-10(11(14)15)18-12(9(7)3-16)20-6-19-5-8(13)4-17-19/h2,4-5,11H,6H2,1H3