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

Systemtic Name: N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-3-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C16H13F3N4O2S MolecularWeight: 382.36023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CCSC3=NC=C(C=C3)C(F)(F)F)NC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CCSC3=NC=C(C=C3)C(F)(F)F)NC(=O)N2

InChI

InChI=1S/C16H13F3N4O2S/c17-16(18,19)9-1-4-14(20-8-9)26-6-5-13(24)21-10-2-3-11-12(7-10)23-15(25)22-11/h1-4,7-8H,5-6H2,(H,21,24)(H2,22,23,25)