(4R)-6-azanyl-5-cyano-4-(4-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: (4R)-6-azanyl-5-cyano-4-(4-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxamide Openeye Name: (4R)-6-amino-5-cyano-4-(4-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxamide CAS Name: (4R)-6-amino-5-cyano-2-mercapto-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxamide IUPAC Name: (4R)-6-amino-5-cyano-4-(4-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxamide Traditional Name: (4R)-6-amino-5-cyano-2-mercapto-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxamide Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3S/c14-5-8-9(6-1-3-7(4-2-6)18(20)21)10(12(16)19)13(22)17-11(8)15/h1-4,9,17,22H,15H2,(H2,16,19)/t9-/m1/s1