7-[[4-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[4-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(4-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(4-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(4-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(5,6-diketo-4-methyl-1H-1,2,4-triazin-3-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H12N4O5S2 MolecularWeight: 356.37748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=O)NN=C1SCC2C3N(C2=O)C(=CCS3)C(=O)O

Isomeric SMILES

CN1C(=O)C(=O)NN=C1SCC2C3N(C2=O)C(=CCS3)C(=O)O

InChI

InChI=1S/C12H12N4O5S2/c1-15-9(19)7(17)13-14-12(15)23-4-5-8(18)16-6(11(20)21)2-3-22-10(5)16/h2,5,10H,3-4H2,1H3,(H,13,17)(H,20,21)