4-(4-methylphenyl)-2-(2-oxidanyl-3-thiomorpholin-4-yl-propyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-(2-oxidanyl-3-thiomorpholin-4-yl-propyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-thiomorpholino-propyl)sulfanyl-6-phenyl-4-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(2-hydroxy-3-thiomorpholin-4-ylpropyl)thio]-4-(4-methylphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-thiomorpholin-4-ylpropyl)sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-hydroxy-3-thiomorpholino-propyl)thio]-6-phenyl-4-(p-tolyl)nicotinonitrile Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CN3CCSCC3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CN3CCSCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS2/c1-19-7-9-20(10-8-19)23-15-25(21-5-3-2-4-6-21)28-26(24(23)16-27)32-18-22(30)17-29-11-13-31-14-12-29/h2-10,15,22,30H,11-14,17-18H2,1H3