N-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]-3-fluoro-benzamide CAS Name: N-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-3-pyridazinyl]-3-fluorobenzamide IUPAC Name: N-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide Traditional Name: N-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]pyridazin-3-yl]-3-fluoro-benzamide Formula: C21H17FN4O4S MolecularWeight: 440.447483

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C=C3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C=C3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H17FN4O4S/c22-14-3-1-2-13(10-14)21(28)24-18-6-7-20(26-25-18)31-12-19(27)23-15-4-5-16-17(11-15)30-9-8-29-16/h1-7,10-11H,8-9,12H2,(H,23,27)(H,24,25,28)