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

Systemtic Name: (3S,4S)-4-(4-chlorophenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3S,4S)-4-(4-chlorophenyl)-2-oxo-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3S,4S)-4-(4-chlorophenyl)-6-mercapto-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3S,4S)-4-(4-chlorophenyl)-2-oxo-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3S,4S)-4-(4-chlorophenyl)-2-keto-6-mercapto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H13ClN3OS+ MolecularWeight: 342.82262

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3OS/c18-12-6-4-11(5-7-12)14-13(10-19)17(23)20-16(22)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)/p+1/t14-,15-/m0/s1