5-ethanoyl-6-methyl-2-phenacylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-phenacylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-phenacylsulfanyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(phenacylthio)-4-(3-pyridinyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-phenacylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(phenacylthio)-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CN=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CN=CC=C3)C(=O)C

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/h3-10,12,21,25H,13H2,1-2H3