5-ethanoyl-6-methyl-2-(phenylsulfanylmethylsulfanyl)-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(phenylsulfanylmethylsulfanyl)-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(phenylsulfanylmethylsulfanyl)-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(phenylthio)methylthio]-4-(3-pyridinyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(phenylsulfanylmethylsulfanyl)-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(phenylthio)methylthio]-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCSC2=CC=CC=C2)C#N)C3=CN=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCSC2=CC=CC=C2)C#N)C3=CN=CC=C3)C(=O)C

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/h3-10,12,20,24H,13H2,1-2H3