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

Systemtic Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C19H13F3N4O3S MolecularWeight: 434.39173

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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)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H13F3N4O3S/c20-19(21,22)15-10-13(3-4-16(15)26(28)29)25-17(27)14-2-1-7-24-18(14)30-11-12-5-8-23-9-6-12/h1-10H,11H2,(H,25,27)