2-tert-butyl-5-(cyclopropylmethylsulfanyl)-1-[4,4,4-tris(fluoranyl)butyl]benzimidazole

Systemtic Name: 2-tert-butyl-5-(cyclopropylmethylsulfanyl)-1-[4,4,4-tris(fluoranyl)butyl]benzimidazole Openeye Name: 2-tert-butyl-5-(cyclopropylmethylsulfanyl)-1-(4,4,4-trifluorobutyl)benzimidazole CAS Name: 2-tert-butyl-5-(cyclopropylmethylthio)-1-(4,4,4-trifluorobutyl)benzimidazole IUPAC Name: 2-tert-butyl-5-(cyclopropylmethylsulfanyl)-1-(4,4,4-trifluorobutyl)benzimidazole Traditional Name: 2-tert-butyl-5-(cyclopropylmethylthio)-1-(4,4,4-trifluorobutyl)benzimidazole Formula: C19H25F3N2S MolecularWeight: 370.47541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CCCC(F)(F)F)C=CC(=C2)SCC3CC3

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CCCC(F)(F)F)C=CC(=C2)SCC3CC3

InChI

InChI=1S/C19H25F3N2S/c1-18(2,3)17-23-15-11-14(25-12-13-5-6-13)7-8-16(15)24(17)10-4-9-19(20,21)22/h7-8,11,13H,4-6,9-10,12H2,1-3H3