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

Systemtic Name: (4S)-3-ethanoyl-2-methyl-6-phenacylsulfanyl-4-pyridin-3-yl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-2-methyl-6-phenacylsulfanyl-4-(3-pyridyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-2-methyl-6-(phenacylthio)-4-(3-pyridinyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-2-methyl-6-phenacylsulfanyl-4-pyridin-3-yl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-2-methyl-6-(phenacylthio)-4-(3-pyridyl)-3,4-dihydropyridine-5-carbonitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-14-20(15(2)26)21(17-9-6-10-24-12-17)18(11-23)22(25-14)28-13-19(27)16-7-4-3-5-8-16/h3-10,12,20-21H,13H2,1-2H3/t20?,21-/m0/s1