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

Systemtic Name: 2-(2-oxidanyl-3-phenylsulfanyl-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-phenylsulfanyl-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(phenylthio)propyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-phenylsulfanylpropyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(phenylthio)propyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C27H22N2OS2 MolecularWeight: 454.60638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CSC3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CSC3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2OS2/c28-17-25-24(20-10-4-1-5-11-20)16-26(21-12-6-2-7-13-21)29-27(25)32-19-22(30)18-31-23-14-8-3-9-15-23/h1-16,22,30H,18-19H2