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

Systemtic Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(4-quinolylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(4-quinolinylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[4-nitro-3-(trifluoromethyl)phenyl]-2-(4-quinolylmethylthio)nicotinamide Formula: C23H15F3N4O3S MolecularWeight: 484.45041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)CSC3=C(C=CC=N3)C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)CSC3=C(C=CC=N3)C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C23H15F3N4O3S/c24-23(25,26)18-12-15(7-8-20(18)30(32)33)29-21(31)17-5-3-10-28-22(17)34-13-14-9-11-27-19-6-2-1-4-16(14)19/h1-12H,13H2,(H,29,31)