3-[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]propyl]-1H-benzimidazol-2-one Formula: C16H13ClF3N3OS MolecularWeight: 387.80713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H13ClF3N3OS/c17-11-8-10(16(18,19)20)9-21-14(11)25-7-3-6-23-13-5-2-1-4-12(13)22-15(23)24/h1-2,4-5,8-9H,3,6-7H2,(H,22,24)