(4S)-2-azanyl-3-cyano-4-(2-fluorophenyl)-6-sulfanyl-3,4-dihydropyridine-5-carboxamide

Systemtic Name: (4S)-2-azanyl-3-cyano-4-(2-fluorophenyl)-6-sulfanyl-3,4-dihydropyridine-5-carboxamide Openeye Name: (4S)-2-amino-3-cyano-4-(2-fluorophenyl)-6-sulfanyl-3,4-dihydropyridine-5-carboxamide CAS Name: (4S)-2-amino-3-cyano-4-(2-fluorophenyl)-6-mercapto-3,4-dihydropyridine-5-carboxamide IUPAC Name: (4S)-2-amino-3-cyano-4-(2-fluorophenyl)-6-sulfanyl-3,4-dihydropyridine-5-carboxamide Traditional Name: (4S)-2-amino-3-cyano-4-(2-fluorophenyl)-6-mercapto-3,4-dihydropyridine-5-carboxamide Formula: C13H11FN4OS MolecularWeight: 290.316043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(C(=NC(=C2C(=O)N)S)N)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C13H11FN4OS/c14-8-4-2-1-3-6(8)9-7(5-15)11(16)18-13(20)10(9)12(17)19/h1-4,7,9,20H,(H2,16,18)(H2,17,19)/t7?,9-/m1/s1