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

Systemtic Name: 2-[(3-ethyl-4-ethylsulfanyl-pyridin-2-yl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[(3-ethyl-4-ethylsulfanyl-2-pyridyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[[3-ethyl-4-(ethylthio)-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[(3-ethyl-4-ethylsulfanylpyridin-2-yl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[[3-ethyl-4-(ethylthio)-2-pyridyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C18H18F3N3OS2 MolecularWeight: 413.48023

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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)SCC

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3OS2/c1-3-12-15(22-8-7-16(12)26-4-2)10-27(25)17-23-13-6-5-11(18(19,20)21)9-14(13)24-17/h5-9H,3-4,10H2,1-2H3,(H,23,24)