[1-[4-fluoranyl-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxidanylidene-pentan-2-yl] ethanoate; 2-methylpropan-2-amine

Systemtic Name: [1-[4-fluoranyl-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxidanylidene-pentan-2-yl] ethanoate; 2-methylpropan-2-amine Openeye Name: [1-[[4-fluoro-2-(6-thioxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] acetate; 2-methylpropan-2-amine CAS Name: acetic acid [1-[4-fluoro-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] ester; 2-methyl-2-propanamine IUPAC Name: [1-[4-fluoro-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] acetate; 2-methylpropan-2-amine Traditional Name: acetic acid [1-[[4-fluoro-2-(6-thioxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-keto-butyl] ester; tert-butylamine Formula: C21H28FN3O4S MolecularWeight: 437.528123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(COC1=C(C=C(C=C1)F)C2=NNC(=S)C=C2)OC(=O)C.CC(C)(C)N

Isomeric SMILES

CC(=O)CC(COC1=C(C=C(C=C1)F)C2=NNC(=S)C=C2)OC(=O)C.CC(C)(C)N

InChI

InChI=1S/C17H17FN2O4S.C4H11N/c1-10(21)7-13(24-11(2)22)9-23-16-5-3-12(18)8-14(16)15-4-6-17(25)20-19-15;1-4(2,3)5/h3-6,8,13H,7,9H2,1-2H3,(H,20,25);5H2,1-3H3