N-[4-[2-(6-chloranylpyridazin-3-yl)sulfanylethanoylamino]-2,5-dimethoxy-phenyl]benzamide

Systemtic Name: N-[4-[2-(6-chloranylpyridazin-3-yl)sulfanylethanoylamino]-2,5-dimethoxy-phenyl]benzamide Openeye Name: N-[4-[[2-(6-chloropyridazin-3-yl)sulfanylacetyl]amino]-2,5-dimethoxy-phenyl]benzamide CAS Name: N-[4-[[2-[(6-chloro-3-pyridazinyl)thio]-1-oxoethyl]amino]-2,5-dimethoxyphenyl]benzamide IUPAC Name: N-[4-[[2-(6-chloropyridazin-3-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide Traditional Name: N-[4-[[2-[(6-chloropyridazin-3-yl)thio]acetyl]amino]-2,5-dimethoxy-phenyl]benzamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=NN=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN4O4S/c1-29-16-11-15(24-21(28)13-6-4-3-5-7-13)17(30-2)10-14(16)23-19(27)12-31-20-9-8-18(22)25-26-20/h3-11H,12H2,1-2H3,(H,23,27)(H,24,28)