9-(4-bromanylbutyl)-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide

Systemtic Name: 9-(4-bromanylbutyl)-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C20H19BrF3NOS MolecularWeight: 458.33517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)(CCCCBr)C(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)(CCCCBr)C(=O)NCC(F)(F)F

InChI

InChI=1S/C20H19BrF3NOS/c21-12-6-5-11-19(18(26)25-13-20(22,23)24)14-7-1-3-9-16(14)27-17-10-4-2-8-15(17)19/h1-4,7-10H,5-6,11-13H2,(H,25,26)