2-[(4-methylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-(p-tolylmethylsulfanyl)-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(4-methylphenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(4-methylbenzyl)thio]-5-pyrrolidinosulfonyl-pyridine Formula: C17H20N2O2S2 MolecularWeight: 348.4829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H20N2O2S2/c1-14-4-6-15(7-5-14)13-22-17-9-8-16(12-18-17)23(20,21)19-10-2-3-11-19/h4-9,12H,2-3,10-11,13H2,1H3