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

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-oxidanyl-3-(phenylmethylsulfanyl)propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-benzylsulfanyl-2-hydroxy-propyl)sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(phenylmethylthio)propyl]thio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-benzylsulfanyl-2-hydroxypropyl)sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[3-(benzylthio)-2-hydroxy-propyl]thio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C29H26N2O2S2 MolecularWeight: 498.65894

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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=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(CSCC4=CC=CC=C4)O

InChI

InChI=1S/C29H26N2O2S2/c1-33-25-14-12-23(13-15-25)28-16-26(22-10-6-3-7-11-22)27(17-30)29(31-28)35-20-24(32)19-34-18-21-8-4-2-5-9-21/h2-16,24,32H,18-20H2,1H3