1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazin-3-olate Traditional Name: 6-keto-1-[2-keto-2-[(6-mesyl-1,3-benzothiazol-2-yl)amino]ethyl]pyridazin-3-olate Formula: C14H11N4O5S2- MolecularWeight: 379.39094

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C=CC(=N3)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C=CC(=N3)[O-]

InChI

InChI=1S/C14H12N4O5S2/c1-25(22,23)8-2-3-9-10(6-8)24-14(15-9)16-12(20)7-18-13(21)5-4-11(19)17-18/h2-6H,7H2,1H3,(H,17,19)(H,15,16,20)/p-1