6-(4-bromophenyl)-2-(2-octylsulfonylethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(2-octylsulfonylethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(2-octylsulfonylethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-(2-octylsulfonylethylthio)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(2-octylsulfonylethylsulfanyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-(2-octylsulfonylethylthio)-4-phenyl-nicotinonitrile Formula: C28H31BrN2O2S2 MolecularWeight: 571.59194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCS(=O)(=O)CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C28H31BrN2O2S2/c1-2-3-4-5-6-10-18-35(32,33)19-17-34-28-26(21-30)25(22-11-8-7-9-12-22)20-27(31-28)23-13-15-24(29)16-14-23/h7-9,11-16,20H,2-6,10,17-19H2,1H3