9-(1-bromanylbutyl)-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide

Systemtic Name: 9-(1-bromanylbutyl)-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-(1-bromobutyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-(1-bromobutyl)-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-(1-bromobutyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-(1-bromobutyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C20H19BrF3NOS MolecularWeight: 458.33517

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1(C2=CC=CC=C2SC3=CC=CC=C31)C(=O)NCC(F)(F)F)Br

Isomeric SMILES

CCCC(C1(C2=CC=CC=C2SC3=CC=CC=C31)C(=O)NCC(F)(F)F)Br

InChI

InChI=1S/C20H19BrF3NOS/c1-2-7-17(21)20(18(26)25-12-19(22,23)24)13-8-3-5-10-15(13)27-16-11-6-4-9-14(16)20/h3-6,8-11,17H,2,7,12H2,1H3,(H,25,26)