4-fluoranyl-N-[6-[4-oxidanylidene-4-(pyridin-2-ylmethylamino)butyl]sulfanylpyridazin-3-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[6-[4-oxidanylidene-4-(pyridin-2-ylmethylamino)butyl]sulfanylpyridazin-3-yl]benzamide Openeye Name: 4-fluoro-N-[6-[4-oxo-4-(2-pyridylmethylamino)butyl]sulfanylpyridazin-3-yl]benzamide CAS Name: 4-fluoro-N-[6-[[4-oxo-4-(2-pyridinylmethylamino)butyl]thio]-3-pyridazinyl]benzamide IUPAC Name: 4-fluoro-N-[6-[4-oxo-4-(pyridin-2-ylmethylamino)butyl]sulfanylpyridazin-3-yl]benzamide Traditional Name: 4-fluoro-N-[6-[[4-keto-4-(2-pyridylmethylamino)butyl]thio]pyridazin-3-yl]benzamide Formula: C21H20FN5O2S MolecularWeight: 425.479203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN5O2S/c22-16-8-6-15(7-9-16)21(29)25-18-10-11-20(27-26-18)30-13-3-5-19(28)24-14-17-4-1-2-12-23-17/h1-2,4,6-12H,3,5,13-14H2,(H,24,28)(H,25,26,29)