3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: 3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C16H12ClF3N4O2S MolecularWeight: 416.80529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CCSC3=C(C=C(C=N3)C(F)(F)F)Cl)NC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CCSC3=C(C=C(C=N3)C(F)(F)F)Cl)NC(=O)N2

InChI

InChI=1S/C16H12ClF3N4O2S/c17-10-5-8(16(18,19)20)7-21-14(10)27-4-3-13(25)22-9-1-2-11-12(6-9)24-15(26)23-11/h1-2,5-7H,3-4H2,(H,22,25)(H2,23,24,26)