7-[(4-methyl-1H-pyrazol-5-yl)sulfanylmethylsulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(4-methyl-1H-pyrazol-5-yl)sulfanylmethylsulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(4-methyl-1H-pyrazol-5-yl)sulfanylmethylsulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(4-methyl-1H-pyrazol-5-yl)thio]methylthio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(4-methyl-1H-pyrazol-5-yl)sulfanylmethylsulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[(4-methyl-1H-pyrazol-5-yl)thio]methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13N3O3S3 MolecularWeight: 343.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)SCSC2C3N(C2=O)C(=CCS3)C(=O)O

Isomeric SMILES

CC1=C(NN=C1)SCSC2C3N(C2=O)C(=CCS3)C(=O)O

InChI

InChI=1S/C12H13N3O3S3/c1-6-4-13-14-9(6)21-5-20-8-10(16)15-7(12(17)18)2-3-19-11(8)15/h2,4,8,11H,3,5H2,1H3,(H,13,14)(H,17,18)