[1-[2-methyl-5-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxidanylidene-pentan-2-yl] ethanoate

Systemtic Name: [1-[2-methyl-5-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxidanylidene-pentan-2-yl] ethanoate Openeye Name: [1-[[2-methyl-5-(6-thioxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] acetate CAS Name: acetic acid [1-[2-methyl-5-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] ester IUPAC Name: [1-[2-methyl-5-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] acetate Traditional Name: acetic acid [3-keto-1-[[2-methyl-5-(6-thioxo-1H-pyridazin-3-yl)phenoxy]methyl]butyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=S)C=C2)OCC(CC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=S)C=C2)OCC(CC(=O)C)OC(=O)C

InChI

InChI=1S/C18H20N2O4S/c1-11-4-5-14(16-6-7-18(25)20-19-16)9-17(11)23-10-15(8-12(2)21)24-13(3)22/h4-7,9,15H,8,10H2,1-3H3,(H,20,25)