3-[3-[[5-(5-bromanylpyridin-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-8-(trifluoromethyloxy)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole

Systemtic Name: 3-[3-[[5-(5-bromanylpyridin-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-8-(trifluoromethyloxy)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole Openeye Name: 3-[3-[[5-(5-bromo-3-pyridyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-8-(trifluoromethoxy)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole CAS Name: 3-[3-[[5-(5-bromo-3-pyridinyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]propyl]-8-(trifluoromethoxy)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole IUPAC Name: 3-[3-[[5-(5-bromopyridin-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-8-(trifluoromethoxy)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole Traditional Name: 3-[3-[[5-(5-bromo-3-pyridyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]propyl]-8-(trifluoromethoxy)-1,2,3a,4,5,9b-hexahydrobenz[e]indole Formula: C26H29BrF3N5OS MolecularWeight: 596.50557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCCN2CCC3C2CCC4=C3C=C(C=C4)OC(F)(F)F)C5=CC(=CN=C5)Br

Isomeric SMILES

CC(C)N1C(=NN=C1SCCCN2CCC3C2CCC4=C3C=C(C=C4)OC(F)(F)F)C5=CC(=CN=C5)Br

InChI

InChI=1S/C26H29BrF3N5OS/c1-16(2)35-24(18-12-19(27)15-31-14-18)32-33-25(35)37-11-3-9-34-10-8-21-22-13-20(36-26(28,29)30)6-4-17(22)5-7-23(21)34/h4,6,12-16,21,23H,3,5,7-11H2,1-2H3