4-methyl-2-[(4-nitropyrazol-1-yl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2-[(4-nitropyrazol-1-yl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 4-methyl-2-[(4-nitropyrazol-1-yl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 4-methyl-2-[(4-nitro-1-pyrazolyl)methylthio]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2-[(4-nitropyrazol-1-yl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 4-methyl-2-[(4-nitropyrazol-1-yl)methylthio]-6-(trifluoromethyl)nicotinonitrile Formula: C12H8F3N5O2S MolecularWeight: 343.28443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCN2C=C(C=N2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCN2C=C(C=N2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H8F3N5O2S/c1-7-2-10(12(13,14)15)18-11(9(7)3-16)23-6-19-5-8(4-17-19)20(21)22/h2,4-5H,6H2,1H3