(3R,4S)-5-cyano-3-nitro-2-oxidanyl-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate

Systemtic Name: (3R,4S)-5-cyano-3-nitro-2-oxidanyl-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (3R,4S)-5-cyano-2-hydroxy-3-nitro-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (3R,4S)-5-cyano-2-hydroxy-3-nitro-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (3R,4S)-5-cyano-2-hydroxy-3-nitro-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (3R,4S)-5-cyano-2-hydroxy-3-nitro-2,4-diphenyl-3,4-dihydro-1H-pyridine-6-thiolate Formula: C18H14N3O3S- MolecularWeight: 352.38706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(NC(=C2C#N)[S-])(C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(NC(=C2C#N)[S-])(C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3S/c19-11-14-15(12-7-3-1-4-8-12)16(21(23)24)18(22,20-17(14)25)13-9-5-2-6-10-13/h1-10,15-16,20,22,25H/p-1/t15-,16+,18?/m0/s1