2-(3-octylsulfanyl-2-oxidanyl-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3-octylsulfanyl-2-oxidanyl-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-octylsulfanyl-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(octylthio)propyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-octylsulfanylpropyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(octylthio)propyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C29H34N2OS2 MolecularWeight: 490.72306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2OS2/c1-2-3-4-5-6-13-18-33-21-25(32)22-34-29-27(20-30)26(23-14-9-7-10-15-23)19-28(31-29)24-16-11-8-12-17-24/h7-12,14-17,19,25,32H,2-6,13,18,21-22H2,1H3