N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C21H14ClF3N4OS MolecularWeight: 462.87527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H14ClF3N4OS/c22-15-10-13(21(23,24)25)11-26-19(15)28-18(30)12-31-20-27-16-8-4-5-9-17(16)29(20)14-6-2-1-3-7-14/h1-11H,12H2,(H,26,28,30)