2-[2-(2,5-dimethylphenyl)octylsulfanyl]pyridine

Systemtic Name: 2-[2-(2,5-dimethylphenyl)octylsulfanyl]pyridine Openeye Name: 2-[2-(2,5-dimethylphenyl)octylsulfanyl]pyridine CAS Name: 2-[2-(2,5-dimethylphenyl)octylthio]pyridine IUPAC Name: 2-[2-(2,5-dimethylphenyl)octylsulfanyl]pyridine Traditional Name: 2-[2-(2,5-dimethylphenyl)octylthio]pyridine Formula: C21H29NS MolecularWeight: 327.52666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CSC1=CC=CC=N1)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCCCC(CSC1=CC=CC=N1)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H29NS/c1-4-5-6-7-10-19(16-23-21-11-8-9-14-22-21)20-15-17(2)12-13-18(20)3/h8-9,11-15,19H,4-7,10,16H2,1-3H3