9-[3-[[5-azanyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]fluorene-9-carboxamide

Systemtic Name: 9-[3-[[5-azanyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]fluorene-9-carboxamide Openeye Name: 9-[3-[[5-amino-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,2,4-triazol-3-yl]sulfanyl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide CAS Name: 9-[3-[[5-amino-1-[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]thio]propyl]-N-(2,2,2-trifluoroethyl)-9-fluorenecarboxamide IUPAC Name: 9-[3-[[5-amino-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,2,4-triazol-3-yl]sulfanyl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide Traditional Name: 9-[3-[[5-amino-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,2,4-triazol-3-yl]thio]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide Formula: C35H27F6N5O2S MolecularWeight: 695.676599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)N3C(=NC(=N3)SCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)N3C(=NC(=N3)SCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F)N

InChI

InChI=1S/C35H27F6N5O2S/c36-34(37,38)20-43-30(48)33(27-12-5-3-9-24(27)25-10-4-6-13-28(25)33)18-7-19-49-32-44-31(42)46(45-32)29(47)26-11-2-1-8-23(26)21-14-16-22(17-15-21)35(39,40)41/h1-6,8-17H,7,18-20H2,(H,43,48)(H2,42,44,45)