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

Systemtic Name: ethyl 2-[5-[1,3-benzothiazol-2-yl(cyano)methyl]-4-bromanyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H13BrN4O3S MolecularWeight: 433.27912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O3S/c1-2-25-14(23)9-22-17(24)15(11(18)8-20-22)10(7-19)16-21-12-5-3-4-6-13(12)26-16/h3-6,8,10H,2,9H2,1H3