6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(phenethylthio)-3-pyridinecarbonitrile IUPAC Name: 6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethylsulfanylpyridine-3-carbonitrile Traditional Name: 6-(4-fluorophenyl)-5-(4-mesylphenyl)-2-(phenethylthio)nicotinonitrile Formula: C27H21FN2O2S2 MolecularWeight: 488.596243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=C(C(=C2)C#N)SCCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=C(C(=C2)C#N)SCCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H21FN2O2S2/c1-34(31,32)24-13-9-20(10-14-24)25-17-22(18-29)27(33-16-15-19-5-3-2-4-6-19)30-26(25)21-7-11-23(28)12-8-21/h2-14,17H,15-16H2,1H3