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

Systemtic Name: 7-azanyl-3-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H14N5O3S2+ MolecularWeight: 328.39056

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NN=C1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

C[N+]1=C(NN=C1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C11H13N5O3S2/c1-15-4-13-14-11(15)21-3-5-2-20-9-6(12)8(17)16(9)7(5)10(18)19/h4,6,9H,2-3,12H2,1H3,(H,18,19)/p+1