4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-4,5-dihydroimidazol-1-yl]benzoate

Systemtic Name: 4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-4,5-dihydroimidazol-1-yl]benzoate Openeye Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-4,5-dihydroimidazol-1-yl]benzoate CAS Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-4,5-dihydroimidazol-1-yl]benzoate IUPAC Name: 4-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-4,5-dihydroimidazol-1-yl]benzoate Traditional Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-2-imidazolin-1-yl]benzoate Formula: C16H10ClF3N3O2S- MolecularWeight: 400.78271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(C(=N1)SC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H11ClF3N3O2S/c17-12-7-10(16(18,19)20)8-22-13(12)26-15-21-5-6-23(15)11-3-1-9(2-4-11)14(24)25/h1-4,7-8H,5-6H2,(H,24,25)/p-1