(2S)-4-methyl-2-sulfanyl-6-(trifluoromethyl)-1,2-dihydropyridin-1-ium-3-carbonitrile

Systemtic Name: (2S)-4-methyl-2-sulfanyl-6-(trifluoromethyl)-1,2-dihydropyridin-1-ium-3-carbonitrile Openeye Name: (2S)-4-methyl-2-sulfanyl-6-(trifluoromethyl)-1,2-dihydropyridin-1-ium-3-carbonitrile CAS Name: (2S)-2-mercapto-4-methyl-6-(trifluoromethyl)-1,2-dihydropyridin-1-ium-3-carbonitrile IUPAC Name: (2S)-4-methyl-2-sulfanyl-6-(trifluoromethyl)-1,2-dihydropyridin-1-ium-3-carbonitrile Traditional Name: (2S)-2-mercapto-4-methyl-6-(trifluoromethyl)-1,2-dihydropyridin-1-ium-3-carbonitrile Formula: C8H8F3N2S+ MolecularWeight: 221.22273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH2+]C(=C1)C(F)(F)F)S)C#N

Isomeric SMILES

CC1=C([C@@H]([NH2+]C(=C1)C(F)(F)F)S)C#N

InChI

InChI=1S/C8H7F3N2S/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2,7,13-14H,1H3/p+1/t7-/m0/s1