(4S)-3-ethanoyl-2-methyl-6-(phenylsulfanylmethylsulfanyl)-4-pyridin-3-yl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-3-ethanoyl-2-methyl-6-(phenylsulfanylmethylsulfanyl)-4-pyridin-3-yl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-2-methyl-6-(phenylsulfanylmethylsulfanyl)-4-(3-pyridyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-2-methyl-6-[(phenylthio)methylthio]-4-(3-pyridinyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-2-methyl-6-(phenylsulfanylmethylsulfanyl)-4-pyridin-3-yl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-2-methyl-6-[(phenylthio)methylthio]-4-(3-pyridyl)-3,4-dihydropyridine-5-carbonitrile Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CN=CC=C2)C#N)SCSC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CN=CC=C2)C#N)SCSC3=CC=CC=C3

InChI

InChI=1S/C21H19N3OS2/c1-14-19(15(2)25)20(16-7-6-10-23-12-16)18(11-22)21(24-14)27-13-26-17-8-4-3-5-9-17/h3-10,12,19-20H,13H2,1-2H3/t19?,20-/m0/s1