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

Systemtic Name: 6-(4-bromophenyl)-4-phenyl-2-[2-(phenylmethyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(2-benzylsulfonylethylsulfanyl)-6-(4-bromophenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-4-phenyl-2-[2-(phenylmethyl)sulfonylethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(2-benzylsulfonylethylsulfanyl)-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(2-benzylsulfonylethylthio)-6-(4-bromophenyl)-4-phenyl-nicotinonitrile Formula: C27H21BrN2O2S2 MolecularWeight: 549.50184

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H21BrN2O2S2/c28-23-13-11-22(12-14-23)26-17-24(21-9-5-2-6-10-21)25(18-29)27(30-26)33-15-16-34(31,32)19-20-7-3-1-4-8-20/h1-14,17H,15-16,19H2