4-(4-bromophenyl)-5-cyano-2-cyclopropyl-3-(4-methylpyridin-1-ium-1-yl)-2-oxidanyl-3,4-dihydro-1H-pyridine-6-thiolate

Systemtic Name: 4-(4-bromophenyl)-5-cyano-2-cyclopropyl-3-(4-methylpyridin-1-ium-1-yl)-2-oxidanyl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: 4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: 4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-(4-methyl-1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: 4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: 4-(4-bromophenyl)-5-cyano-2-cyclopropyl-2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridine-6-thiolate Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2C(C(=C(NC2(C3CC3)O)[S-])C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=[N+](C=C1)C2C(C(=C(NC2(C3CC3)O)[S-])C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3OS/c1-13-8-10-25(11-9-13)19-18(14-2-6-16(22)7-3-14)17(12-23)20(27)24-21(19,26)15-4-5-15/h2-3,6-11,15,18-19,24,26H,4-5H2,1H3