2-azanyl-4-(4-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile; piperidine

Systemtic Name: 2-azanyl-4-(4-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile; piperidine Openeye Name: 2-amino-4-(4-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile; piperidine CAS Name: 2-amino-6-mercapto-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile; piperidine IUPAC Name: 2-amino-4-(4-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile; piperidine Traditional Name: 2-amino-6-mercapto-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile; piperidine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC1.C1=CC(=CC=C1C2C(=C(NC(=C2C#N)S)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCNCC1.C1=CC(=CC=C1C2C(=C(NC(=C2C#N)S)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O2S.C5H11N/c14-5-9-11(10(6-15)13(21)17-12(9)16)7-1-3-8(4-2-7)18(19)20;1-2-4-6-5-3-1/h1-4,11,17,21H,16H2;6H,1-5H2