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

Systemtic Name: 6-(4-bromophenyl)-2-(2-ethylsulfonylethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(2-ethylsulfonylethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-(2-ethylsulfonylethylthio)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(2-ethylsulfonylethylsulfanyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-(2-esylethylthio)-4-phenyl-nicotinonitrile Formula: C22H19BrN2O2S2 MolecularWeight: 487.43246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O2S2/c1-2-29(26,27)13-12-28-22-20(15-24)19(16-6-4-3-5-7-16)14-21(25-22)17-8-10-18(23)11-9-17/h3-11,14H,2,12-13H2,1H3