6-(4-methoxyphenyl)-2-(octylsulfinylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(octylsulfinylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(octylsulfinylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(octylsulfinylmethylthio)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(octylsulfinylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(octylsulfinylmethylthio)-4-phenyl-nicotinonitrile Formula: C28H32N2O2S2 MolecularWeight: 492.69588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCS(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C28H32N2O2S2/c1-3-4-5-6-7-11-18-34(31)21-33-28-26(20-29)25(22-12-9-8-10-13-22)19-27(30-28)23-14-16-24(32-2)17-15-23/h8-10,12-17,19H,3-7,11,18,21H2,1-2H3