4-azanyl-8-oxidanylidene-4-(2H-1,2,3-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-azanyl-8-oxidanylidene-4-(2H-1,2,3-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-amino-8-oxo-4-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-amino-8-oxo-4-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-amino-8-oxo-4-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-amino-8-keto-4-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H11N5O3S2 MolecularWeight: 313.35604

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CC(S2)(CSC3=NNN=C3)N)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)(CSC3=NNN=C3)N)C(=O)O

InChI

InChI=1S/C10H11N5O3S2/c11-10(4-19-6-3-12-14-13-6)2-5(9(17)18)15-7(16)1-8(15)20-10/h2-3,8H,1,4,11H2,(H,17,18)(H,12,13,14)