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

Systemtic Name: 6-(4-bromophenyl)-2-(3-octylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(2-hydroxy-3-octylsulfanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[[2-hydroxy-3-(octylthio)propyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(2-hydroxy-3-octylsulfanylpropyl)sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[[2-hydroxy-3-(octylthio)propyl]thio]-4-phenyl-nicotinonitrile Formula: C29H33BrN2OS2 MolecularWeight: 569.61912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33BrN2OS2/c1-2-3-4-5-6-10-17-34-20-25(33)21-35-29-27(19-31)26(22-11-8-7-9-12-22)18-28(32-29)23-13-15-24(30)16-14-23/h7-9,11-16,18,25,33H,2-6,10,17,20-21H2,1H3