3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)-3aH-benzimidazole-2-thione

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)-3aH-benzimidazole-2-thione Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)-3aH-benzimidazole-2-thione CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)-3aH-benzimidazole-2-thione IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)-3aH-benzimidazole-2-thione Traditional Name: 3-homoveratryl-6-(trifluoromethyl)-3aH-benzimidazole-2-thione Formula: C18H17F3N2O2S MolecularWeight: 382.39999

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3C=CC(=CC3=NC2=S)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3C=CC(=CC3=NC2=S)C(F)(F)F)OC

InChI

InChI=1S/C18H17F3N2O2S/c1-24-15-6-3-11(9-16(15)25-2)7-8-23-14-5-4-12(18(19,20)21)10-13(14)22-17(23)26/h3-6,9-10,14H,7-8H2,1-2H3