2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[3-chloranyl-4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[3-chloranyl-4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-[3-chloro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[3-chloro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-[3-chloro-4-(trifluoromethoxy)phenyl]nicotinamide Formula: C21H16ClF3N4O3S MolecularWeight: 496.88995

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)OC(F)(F)F)Cl

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)OC(F)(F)F)Cl

InChI

InChI=1S/C21H16ClF3N4O3S/c1-12(30)28-18-9-13(6-8-26-18)11-33-20-15(3-2-7-27-20)19(31)29-14-4-5-17(16(22)10-14)32-21(23,24)25/h2-10H,11H2,1H3,(H,29,31)(H,26,28,30)