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

Systemtic Name: 2-(3-octylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-octylsulfanyl-propyl)sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(octylthio)propyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-octylsulfanylpropyl)sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(octylthio)propyl]thio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C27H32N2OS3 MolecularWeight: 496.75078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CCCCCCCCSCC(CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C27H32N2OS3/c1-2-3-4-5-6-10-15-31-19-22(30)20-33-27-24(18-28)23(21-12-8-7-9-13-21)17-25(29-27)26-14-11-16-32-26/h7-9,11-14,16-17,22,30H,2-6,10,15,19-20H2,1H3