methyl 2-[(2-tert-butyl-4-chloranyl-3-oxidanylidene-4H-pyridazin-2-ium-5-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(2-tert-butyl-4-chloranyl-3-oxidanylidene-4H-pyridazin-2-ium-5-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(2-tert-butyl-4-chloro-3-oxo-4H-pyridazin-2-ium-5-yl)sulfanyl]acetate CAS Name: 2-[(2-tert-butyl-4-chloro-3-oxo-4H-pyridazin-2-ium-5-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-tert-butyl-4-chloro-3-oxo-4H-pyridazin-2-ium-5-yl)sulfanyl]acetate Traditional Name: 2-[(2-tert-butyl-4-chloro-3-keto-4H-pyridazin-2-ium-5-yl)thio]acetic acid methyl ester Formula: C11H16ClN2O3S+ MolecularWeight: 291.77434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)SCC(=O)OC

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)SCC(=O)OC

InChI

InChI=1S/C11H16ClN2O3S/c1-11(2,3)14-10(16)9(12)7(5-13-14)18-6-8(15)17-4/h5,9H,6H2,1-4H3/q+1