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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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