2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[[4-(2-furylmethylsulfanyl)-3-methyl-2-pyridyl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[[4-(2-furanylmethylthio)-3-methyl-2-pyridinyl]methylthio]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[[4-(furan-2-ylmethylsulfanyl)-3-methylpyridin-2-yl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[[4-(2-furfurylthio)-3-methyl-2-pyridyl]methylthio]-6-(trifluoromethyl)-1H-benzimidazole Formula: C20H16F3N3OS2 MolecularWeight: 435.48575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)SCC4=CC=CO4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)SCC4=CC=CO4

InChI

InChI=1S/C20H16F3N3OS2/c1-12-17(24-7-6-18(12)28-10-14-3-2-8-27-14)11-29-19-25-15-5-4-13(20(21,22)23)9-16(15)26-19/h2-9H,10-11H2,1H3,(H,25,26)