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

Systemtic Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]-2-oxidanyl-propyl]sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]-2-hydroxy-propyl]sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[3-[(4-chlorophenyl)methylthio]-2-hydroxypropyl]thio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfanyl]-2-hydroxypropyl]sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[3-[(4-chlorobenzyl)thio]-2-hydroxy-propyl]thio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C29H25ClN2O2S2 MolecularWeight: 533.104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C29H25ClN2O2S2/c1-34-25-13-9-22(10-14-25)28-15-26(21-5-3-2-4-6-21)27(16-31)29(32-28)36-19-24(33)18-35-17-20-7-11-23(30)12-8-20/h2-15,24,33H,17-19H2,1H3