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

Systemtic Name: 2-methylpropan-2-amine; [1-[5-methyl-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxidanylidene-pentan-2-yl] ethanoate Openeye Name: 2-methylpropan-2-amine; [1-[[5-methyl-2-(6-thioxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] acetate CAS Name: acetic acid [1-[5-methyl-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] ester; 2-methyl-2-propanamine IUPAC Name: 2-methylpropan-2-amine; [1-[5-methyl-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] acetate Traditional Name: acetic acid [3-keto-1-[[5-methyl-2-(6-thioxo-1H-pyridazin-3-yl)phenoxy]methyl]butyl] ester; tert-butylamine Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S.C4H11N/c1-11-4-5-15(16-6-7-18(25)20-19-16)17(8-11)23-10-14(9-12(2)21)24-13(3)22;1-4(2,3)5/h4-8,14H,9-10H2,1-3H3,(H,20,25);5H2,1-3H3