4,6-diphenyl-2-[2-(phenylmethyl)sulfinylethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-diphenyl-2-[2-(phenylmethyl)sulfinylethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(2-benzylsulfinylethylsulfanyl)-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 4,6-diphenyl-2-[2-(phenylmethyl)sulfinylethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(2-benzylsulfinylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-(2-benzylsulfinylethylthio)-4,6-diphenyl-nicotinonitrile Formula: C27H22N2OS2 MolecularWeight: 454.60638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

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