3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoate

Systemtic Name: 3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoate Openeye Name: 3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoate CAS Name: 3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)propanoate IUPAC Name: 3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoate Traditional Name: 3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)propionate Formula: C11H8N3O2S2- MolecularWeight: 278.33012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=NN=C3SCCC(=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=NN=C3SCCC(=O)[O-])S2

InChI

InChI=1S/C11H9N3O2S2/c15-9(16)5-6-17-10-12-13-11-14(10)7-3-1-2-4-8(7)18-11/h1-4H,5-6H2,(H,15,16)/p-1