(4S)-3-carbamothioyl-5-cyano-2-pyridin-3-yl-4-pyridin-4-yl-3,4-dihydropyridine-6-thiolate

Systemtic Name: (4S)-3-carbamothioyl-5-cyano-2-pyridin-3-yl-4-pyridin-4-yl-3,4-dihydropyridine-6-thiolate Openeye Name: (4S)-3-carbamothioyl-5-cyano-2-(3-pyridyl)-4-(4-pyridyl)-3,4-dihydropyridine-6-thiolate CAS Name: (4S)-3-carbamothioyl-5-cyano-2-(3-pyridinyl)-4-pyridin-4-yl-3,4-dihydropyridine-6-thiolate IUPAC Name: (4S)-3-carbamothioyl-5-cyano-2-pyridin-3-yl-4-pyridin-4-yl-3,4-dihydropyridine-6-thiolate Traditional Name: (4S)-5-cyano-2-(3-pyridyl)-4-(4-pyridyl)-3-thiocarbamoyl-3,4-dihydropyridine-6-thiolate Formula: C17H12N5S2- MolecularWeight: 350.44068

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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)/p-1/t13-,14?/m0/s1