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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(4-bromophenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(4-bromobenzyl)thio]-5-pyrrolidinosulfonyl-pyridine Formula: C16H17BrN2O2S2 MolecularWeight: 413.35238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H17BrN2O2S2/c17-14-5-3-13(4-6-14)12-22-16-8-7-15(11-18-16)23(20,21)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12H2