2-[3-[(4-chlorophenyl)methylsulfanyl]-2-oxidanyl-propyl]sulfanyl-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]-2-oxidanyl-propyl]sulfanyl-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]-2-hydroxy-propyl]sulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[[3-[(4-chlorophenyl)methylthio]-2-hydroxypropyl]thio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]-2-hydroxypropyl]sulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[3-[(4-chlorobenzyl)thio]-2-hydroxy-propyl]thio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C29H25ClN2OS2 MolecularWeight: 517.1046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(CSCC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(CSCC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C29H25ClN2OS2/c1-20-7-11-23(12-8-20)28-15-26(22-5-3-2-4-6-22)27(16-31)29(32-28)35-19-25(33)18-34-17-21-9-13-24(30)14-10-21/h2-15,25,33H,17-19H2,1H3