1-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridine-2-thione

Systemtic Name: 1-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridine-2-thione Openeye Name: 1-[[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridine-2-thione CAS Name: 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinethione IUPAC Name: 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-5-pyrrolidin-1-ylsulfonylpyridine-2-thione Traditional Name: 1-[[(2-chloro-6-fluoro-benzyl)-methyl-amino]methyl]-5-pyrrolidinosulfonyl-pyridine-2-thione Formula: C18H21ClFN3O2S2 MolecularWeight: 429.959643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)CN2C=C(C=CC2=S)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)CN2C=C(C=CC2=S)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21ClFN3O2S2/c1-21(12-15-16(19)5-4-6-17(15)20)13-22-11-14(7-8-18(22)26)27(24,25)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12-13H2,1H3