2-fluoranyl-N-methyl-4-(3-quinolin-6-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzamide

Systemtic Name: 2-fluoranyl-N-methyl-4-(3-quinolin-6-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzamide Openeye Name: 2-fluoro-N-methyl-4-[3-(6-quinolylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide CAS Name: 2-fluoro-N-methyl-4-[3-(6-quinolinylthio)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide IUPAC Name: 2-fluoro-N-methyl-4-(3-quinolin-6-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzamide Traditional Name: 2-fluoro-N-methyl-4-[3-(6-quinolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide Formula: C22H15FN6OS MolecularWeight: 430.457503

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=CC=C5)C=C2)F

Isomeric SMILES

CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=CC=C5)C=C2)F

InChI

InChI=1S/C22H15FN6OS/c1-24-21(30)16-6-4-14(12-17(16)23)19-8-9-20-26-27-22(29(20)28-19)31-15-5-7-18-13(11-15)3-2-10-25-18/h2-12H,1H3,(H,24,30)