2-[(3-ethyl-4-methylsulfanyl-pyridin-2-yl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 2-[(3-ethyl-4-methylsulfanyl-pyridin-2-yl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[(3-ethyl-4-methylsulfanyl-2-pyridyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[[3-ethyl-4-(methylthio)-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[(3-ethyl-4-methylsulfanylpyridin-2-yl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[[3-ethyl-4-(methylthio)-2-pyridyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C17H16F3N3OS2 MolecularWeight: 399.45365

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)SC

Isomeric SMILES

CCC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)SC

InChI

InChI=1S/C17H16F3N3OS2/c1-3-11-14(21-7-6-15(11)25-2)9-26(24)16-22-12-5-4-10(17(18,19)20)8-13(12)23-16/h4-8H,3,9H2,1-2H3,(H,22,23)