6-(4-methoxyphenyl)-2-(3-octylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(3-octylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-octylsulfanyl-propyl)sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(octylthio)propyl]thio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-octylsulfanylpropyl)sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(octylthio)propyl]thio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C30H36N2O2S2 MolecularWeight: 520.74904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CCCCCCCCSCC(CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C30H36N2O2S2/c1-3-4-5-6-7-11-18-35-21-25(33)22-36-30-28(20-31)27(23-12-9-8-10-13-23)19-29(32-30)24-14-16-26(34-2)17-15-24/h8-10,12-17,19,25,33H,3-7,11,18,21-22H2,1-2H3