2-[2-(2-azanyl-5-bromanyl-phenyl)-2-(2-fluorophenyl)ethyl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-(2-azanyl-5-bromanyl-phenyl)-2-(2-fluorophenyl)ethyl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[2-(2-amino-5-bromo-phenyl)-2-(2-fluorophenyl)ethyl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[2-(2-amino-5-bromophenyl)-2-(2-fluorophenyl)ethyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-(2-amino-5-bromophenyl)-2-(2-fluorophenyl)ethyl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[2-(2-amino-5-bromo-phenyl)-2-(2-fluorophenyl)ethyl]thio]-1-morpholino-ethanone Formula: C20H22BrFN2O2S MolecularWeight: 453.368283

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSCC(C2=CC=CC=C2F)C3=C(C=CC(=C3)Br)N

Isomeric SMILES

C1COCCN1C(=O)CSCC(C2=CC=CC=C2F)C3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C20H22BrFN2O2S/c21-14-5-6-19(23)16(11-14)17(15-3-1-2-4-18(15)22)12-27-13-20(25)24-7-9-26-10-8-24/h1-6,11,17H,7-10,12-13,23H2