4-fluoranyl-N-[6-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[6-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]benzamide Openeye Name: 4-fluoro-N-[6-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butyl]sulfanylpyridazin-3-yl]benzamide CAS Name: 4-fluoro-N-[6-[[4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutyl]thio]-3-pyridazinyl]benzamide IUPAC Name: 4-fluoro-N-[6-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]sulfanylpyridazin-3-yl]benzamide Traditional Name: 4-fluoro-N-[6-[[4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyl]thio]pyridazin-3-yl]benzamide Formula: C20H25FN5O2S+ MolecularWeight: 418.508203

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN5O2S/c1-25-10-12-26(13-11-25)19(27)3-2-14-29-18-9-8-17(23-24-18)22-20(28)15-4-6-16(21)7-5-15/h4-9H,2-3,10-14H2,1H3,(H,22,23,28)/p+1