3-fluoranyl-N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]benzamide Openeye Name: 3-fluoro-N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylpyridazin-3-yl]benzamide CAS Name: 3-fluoro-N-[6-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridazinyl]benzamide IUPAC Name: 3-fluoro-N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide Traditional Name: 3-fluoro-N-[6-[[2-keto-2-(m-anisylamino)ethyl]thio]pyridazin-3-yl]benzamide Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H19FN4O3S/c1-29-17-7-2-4-14(10-17)12-23-19(27)13-30-20-9-8-18(25-26-20)24-21(28)15-5-3-6-16(22)11-15/h2-11H,12-13H2,1H3,(H,23,27)(H,24,25,28)