6-tert-butyl-2-[4-chloranyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1H-benzimidazole

Systemtic Name: 6-tert-butyl-2-[4-chloranyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1H-benzimidazole Openeye Name: 6-tert-butyl-2-[4-chloro-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1H-benzimidazole CAS Name: 6-tert-butyl-2-[4-chloro-3-[[2-(trifluoromethyl)phenyl]methylthio]phenyl]-1H-benzimidazole IUPAC Name: 6-tert-butyl-2-[4-chloro-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1H-benzimidazole Traditional Name: 6-tert-butyl-2-[4-chloro-3-[[2-(trifluoromethyl)benzyl]thio]phenyl]-1H-benzimidazole Formula: C25H22ClF3N2S MolecularWeight: 474.96879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)Cl)SCC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)Cl)SCC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H22ClF3N2S/c1-24(2,3)17-9-11-20-21(13-17)31-23(30-20)15-8-10-19(26)22(12-15)32-14-16-6-4-5-7-18(16)25(27,28)29/h4-13H,14H2,1-3H3,(H,30,31)