N-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]-3-fluoro-benzamide CAS Name: N-[6-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridazinyl]-3-fluorobenzamide IUPAC Name: N-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide Traditional Name: N-[6-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]pyridazin-3-yl]-3-fluoro-benzamide Formula: C20H15FN4O4S MolecularWeight: 426.420903

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(C=C3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(C=C3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H15FN4O4S/c21-13-3-1-2-12(8-13)20(27)23-17-6-7-19(25-24-17)30-10-18(26)22-14-4-5-15-16(9-14)29-11-28-15/h1-9H,10-11H2,(H,22,26)(H,23,24,27)