(2S,3S,4S)-4-(3,4-dichlorophenyl)-2-oxidanyl-2-phenyl-3-quinolin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (2S,3S,4S)-4-(3,4-dichlorophenyl)-2-oxidanyl-2-phenyl-3-quinolin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2S,3S,4S)-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-quinolin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2S,3S,4S)-4-(3,4-dichlorophenyl)-2-hydroxy-6-mercapto-2-phenyl-3-(1-quinolin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2S,3S,4S)-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-quinolin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2S,3S,4S)-4-(3,4-dichlorophenyl)-2-hydroxy-6-mercapto-2-phenyl-3-quinolin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C27H20Cl2N3OS+ MolecularWeight: 505.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(C(C(=C(N2)S)C#N)C3=CC(=C(C=C3)Cl)Cl)[N+]4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@]2([C@H]([C@H](C(=C(N2)S)C#N)C3=CC(=C(C=C3)Cl)Cl)[N+]4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C27H19Cl2N3OS/c28-21-13-12-18(15-22(21)29)24-20(16-30)26(34)31-27(33,19-9-2-1-3-10-19)25(24)32-14-6-8-17-7-4-5-11-23(17)32/h1-15,24-25,31,33H/p+1/t24-,25-,27-/m0/s1