2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-phenoxyethyl)pyridine-3-carboxamide

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-phenoxyethyl)pyridine-3-carboxamide Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(2-phenoxyethyl)pyridine-3-carboxamide CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-N-(2-phenoxyethyl)-3-pyridinecarboxamide IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-phenoxyethyl)pyridine-3-carboxamide Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-N-(2-phenoxyethyl)nicotinamide Formula: C20H15ClF3N3O2S MolecularWeight: 453.86521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)C2=C(N=CC=C2)SC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)C2=C(N=CC=C2)SC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H15ClF3N3O2S/c21-16-11-13(20(22,23)24)12-27-19(16)30-18-15(7-4-8-26-18)17(28)25-9-10-29-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,25,28)