2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-(3,4-difluorophenyl)sulfanyl-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]acetamide CAS Name: 2-[(3,4-difluorophenyl)thio]-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-(3,4-difluorophenyl)sulfanyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-[(3,4-difluorophenyl)thio]-N-[(6-pyrrolidino-3-pyridyl)methyl]acetamide Formula: C18H19F2N3OS MolecularWeight: 363.424766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H19F2N3OS/c19-15-5-4-14(9-16(15)20)25-12-18(24)22-11-13-3-6-17(21-10-13)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11-12H2,(H,22,24)