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

Systemtic Name: 2-[2-oxidanyl-3-(phenylmethylsulfanyl)propyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(3-benzylsulfanyl-2-hydroxy-propyl)sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(phenylmethylthio)propyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(3-benzylsulfanyl-2-hydroxypropyl)sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[3-(benzylthio)-2-hydroxy-propyl]thio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C26H22N2OS3 MolecularWeight: 474.66068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C26H22N2OS3/c27-15-23-22(20-10-5-2-6-11-20)14-24(25-12-7-13-31-25)28-26(23)32-18-21(29)17-30-16-19-8-3-1-4-9-19/h1-14,21,29H,16-18H2