6-(4-bromophenyl)-4-phenyl-2-[(phenylmethyl)sulfinylmethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-4-phenyl-2-[(phenylmethyl)sulfinylmethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(benzylsulfinylmethylsulfanyl)-6-(4-bromophenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-4-phenyl-2-[(phenylmethyl)sulfinylmethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(benzylsulfinylmethylsulfanyl)-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(benzylsulfinylmethylthio)-6-(4-bromophenyl)-4-phenyl-nicotinonitrile Formula: C26H19BrN2OS2 MolecularWeight: 519.47586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H19BrN2OS2/c27-22-13-11-21(12-14-22)25-15-23(20-9-5-2-6-10-20)24(16-28)26(29-25)31-18-32(30)17-19-7-3-1-4-8-19/h1-15H,17-18H2