2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]indol-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-[(2-chloro-6-fluorophenyl)methylthio]-1-indolyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]indol-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-[(2-chloro-6-fluoro-benzyl)thio]indol-1-yl]-1-pyrrolidino-ethanone Formula: C21H20ClFN2OS MolecularWeight: 402.912703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H20ClFN2OS/c22-17-7-5-8-18(23)16(17)14-27-20-12-25(19-9-2-1-6-15(19)20)13-21(26)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13-14H2