N-(3,5-dimethylphenyl)-2-[[2-(trifluoromethylsulfonylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(trifluoromethylsulfonylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(trifluoromethylsulfonylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(trifluoromethylsulfonylamino)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(trifluoromethylsulfonylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(triflylamino)-4-pyridyl]methylthio]nicotinamide Formula: C21H19F3N4O3S2 MolecularWeight: 496.52577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C21H19F3N4O3S2/c1-13-8-14(2)10-16(9-13)27-19(29)17-4-3-6-26-20(17)32-12-15-5-7-25-18(11-15)28-33(30,31)21(22,23)24/h3-11H,12H2,1-2H3,(H,25,28)(H,27,29)