2-(4,5,6,7-tetrahydro-1H-indazol-3-ylsulfanyl)ethanoate

Systemtic Name: 2-(4,5,6,7-tetrahydro-1H-indazol-3-ylsulfanyl)ethanoate Openeye Name: 2-(4,5,6,7-tetrahydro-1H-indazol-3-ylsulfanyl)acetate CAS Name: 2-(4,5,6,7-tetrahydro-1H-indazol-3-ylthio)acetate IUPAC Name: 2-(4,5,6,7-tetrahydro-1H-indazol-3-ylsulfanyl)acetate Traditional Name: 2-(4,5,6,7-tetrahydro-1H-indazol-3-ylthio)acetate Formula: C9H11N2O2S- MolecularWeight: 211.26084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2)SCC(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C9H12N2O2S/c12-8(13)5-14-9-6-3-1-2-4-7(6)10-11-9/h1-5H2,(H,10,11)(H,12,13)/p-1