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

Systemtic Name: N-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]benzamide Openeye Name: N-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]benzamide CAS Name: N-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-3-pyridazinyl]benzamide IUPAC Name: N-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide Traditional Name: N-[6-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]pyridazin-3-yl]benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S/c26-19(22-15-6-7-16-17(12-15)29-11-10-28-16)13-30-20-9-8-18(24-25-20)23-21(27)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,26)(H,23,24,27)