2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-(4-pyridylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide CAS Name: 2-(pyridin-4-ylmethylthio)-N-[4-(trifluoromethylsulfonyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(4-pyridylmethylthio)-N-(4-triflylphenyl)nicotinamide Formula: C19H14F3N3O3S2 MolecularWeight: 453.45797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O3S2/c20-19(21,22)30(27,28)15-5-3-14(4-6-15)25-17(26)16-2-1-9-24-18(16)29-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,25,26)