7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; pyridazin-1-ium

Systemtic Name: 7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; pyridazin-1-ium Openeye Name: 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; pyridazin-1-ium CAS Name: 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; pyridazin-1-ium IUPAC Name: 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; pyridazin-1-ium Traditional Name: 8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; pyridazin-1-ium Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].C1=CC=N[NH+]=C1

Isomeric SMILES

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].C1=CC=N[NH+]=C1

InChI

InChI=1S/C8H9NO3S.C4H4N2/c1-4-6(10)9-5(8(11)12)2-3-13-7(4)9;1-2-4-6-5-3-1/h2,4,7H,3H2,1H3,(H,11,12);1-4H