(4S)-5-cyano-2-pyridin-3-yl-4-pyridin-4-yl-6-sulfanyl-3,4-dihydropyridine-3-carbothioamide

Systemtic Name: (4S)-5-cyano-2-pyridin-3-yl-4-pyridin-4-yl-6-sulfanyl-3,4-dihydropyridine-3-carbothioamide Openeye Name: (4S)-5-cyano-2-(3-pyridyl)-4-(4-pyridyl)-6-sulfanyl-3,4-dihydropyridine-3-carbothioamide CAS Name: (4S)-5-cyano-6-mercapto-2-(3-pyridinyl)-4-pyridin-4-yl-3,4-dihydropyridine-3-carbothioamide IUPAC Name: (4S)-5-cyano-2-pyridin-3-yl-4-pyridin-4-yl-6-sulfanyl-3,4-dihydropyridine-3-carbothioamide Traditional Name: (4S)-5-cyano-6-mercapto-2-(3-pyridyl)-4-(4-pyridyl)-3,4-dihydropyridine-3-carbothioamide Formula: C17H13N5S2 MolecularWeight: 351.44862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=C(C(C2C(=S)N)C3=CC=NC=C3)C#N)S

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=C([C@@H](C2C(=S)N)C3=CC=NC=C3)C#N)S

InChI

InChI=1S/C17H13N5S2/c18-8-12-13(10-3-6-20-7-4-10)14(16(19)23)15(22-17(12)24)11-2-1-5-21-9-11/h1-7,9,13-14,24H,(H2,19,23)/t13-,14?/m0/s1