3-(3H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylsulfanyl)propanoate

Systemtic Name: 3-(3H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylsulfanyl)propanoate Openeye Name: 3-(3H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylsulfanyl)propanoate CAS Name: 3-(3H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylthio)propanoate IUPAC Name: 3-(3H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylsulfanyl)propanoate Traditional Name: 3-(3H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylthio)propionate Formula: C10H7N4O2S2- MolecularWeight: 279.31818

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NSN2)C3=NC(=NC3=C1)SCCC(=O)[O-]

Isomeric SMILES

C1=C2C(=NSN2)C3=NC(=NC3=C1)SCCC(=O)[O-]

InChI

InChI=1S/C10H8N4O2S2/c15-7(16)3-4-17-10-11-5-1-2-6-9(8(5)12-10)14-18-13-6/h1-2,13H,3-4H2,(H,15,16)/p-1