(3S,4S)-2-oxidanylidene-3-pyridin-1-ium-1-yl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (3S,4S)-2-oxidanylidene-3-pyridin-1-ium-1-yl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3S,4S)-2-oxo-3-pyridin-1-ium-1-yl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3S,4S)-6-mercapto-2-oxo-3-(1-pyridin-1-iumyl)-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3S,4S)-2-oxo-3-pyridin-1-ium-1-yl-6-sulfanyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3S,4S)-2-keto-6-mercapto-3-pyridin-1-ium-1-yl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H13F3N3OS+ MolecularWeight: 376.37553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(=C(NC2=O)S)C#N)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=[N+](C=C1)[C@H]2[C@H](C(=C(NC2=O)S)C#N)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H12F3N3OS/c19-18(20,21)13-7-3-2-6-11(13)14-12(10-22)17(26)23-16(25)15(14)24-8-4-1-5-9-24/h1-9,14-15H,(H-,23,25,26)/p+1/t14-,15-/m0/s1