3-[3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C14H14F3N5OS MolecularWeight: 357.35407

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C(F)(F)F

InChI

InChI=1S/C14H14F3N5OS/c1-21-11(14(15,16)17)19-20-13(21)24-8-4-7-22-10-6-3-2-5-9(10)18-12(22)23/h2-3,5-6H,4,7-8H2,1H3,(H,18,23)