2-cyclopropyl-4-(4-nitrophenyl)-2-oxidanyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 2-cyclopropyl-4-(4-nitrophenyl)-2-oxidanyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 2-cyclopropyl-2-hydroxy-4-(4-nitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 2-cyclopropyl-2-hydroxy-6-mercapto-4-(4-nitrophenyl)-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 2-cyclopropyl-2-hydroxy-4-(4-nitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 2-cyclopropyl-2-hydroxy-6-mercapto-4-(4-nitrophenyl)-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C20H19N4O3S+ MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2(C(C(C(=C(N2)S)C#N)C3=CC=C(C=C3)[N+](=O)[O-])[N+]4=CC=CC=C4)O

Isomeric SMILES

C1CC1C2(C(C(C(=C(N2)S)C#N)C3=CC=C(C=C3)[N+](=O)[O-])[N+]4=CC=CC=C4)O

InChI

InChI=1S/C20H18N4O3S/c21-12-16-17(13-4-8-15(9-5-13)24(26)27)18(23-10-2-1-3-11-23)20(25,14-6-7-14)22-19(16)28/h1-5,8-11,14,17-18,22,25H,6-7H2/p+1