methyl 3-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)sulfanylpropanoate Openeye Name: methyl 3-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)sulfanylpropanoate CAS Name: 3-[(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)sulfanylpropanoate Traditional Name: 3-[(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)thio]propionic acid methyl ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl

Isomeric SMILES

COC(=O)CCSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-20-12(18)7-8-21-11-9-16-17(14(19)13(11)15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3