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

Systemtic Name: (3R,4S)-4-(3-bromanyl-4-fluoranyl-phenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4S)-4-(3-bromo-4-fluoro-phenyl)-2-oxo-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4S)-4-(3-bromo-4-fluorophenyl)-6-mercapto-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4S)-4-(3-bromo-4-fluorophenyl)-2-oxo-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4S)-4-(3-bromo-4-fluoro-phenyl)-2-keto-6-mercapto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H12BrFN3OS+ MolecularWeight: 405.264083

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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)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrFN3OS/c18-12-8-10(4-5-13(12)19)14-11(9-20)17(24)21-16(23)15(14)22-6-2-1-3-7-22/h1-8,14-15H,(H-,21,23,24)/p+1/t14-,15+/m0/s1