2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-N-[2-piperidino-5-(trifluoromethyl)phenyl]acetamide Formula: C21H20BrF3N6OS MolecularWeight: 541.38731

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrF3N6OS/c22-15-5-7-16(8-6-15)31-20(27-28-29-31)33-13-19(32)26-17-12-14(21(23,24)25)4-9-18(17)30-10-2-1-3-11-30/h4-9,12H,1-3,10-11,13H2,(H,26,32)