methyl 2-[5-[1,3-benzothiazol-2-yl(cyano)methyl]-4-bromanyl-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[5-[1,3-benzothiazol-2-yl(cyano)methyl]-4-bromanyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[5-[1,3-benzothiazol-2-yl(cyano)methyl]-4-bromo-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-[1,3-benzothiazol-2-yl(cyano)methyl]-4-bromo-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[1,3-benzothiazol-2-yl(cyano)methyl]-4-bromo-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-[1,3-benzothiazol-2-yl(cyano)methyl]-4-bromo-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C16H11BrN4O3S MolecularWeight: 419.25254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)Br)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)Br)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H11BrN4O3S/c1-24-13(22)8-21-16(23)14(10(17)7-19-21)9(6-18)15-20-11-4-2-3-5-12(11)25-15/h2-5,7,9H,8H2,1H3