2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C8H6N3O2S2- MolecularWeight: 240.28214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C8H7N3O2S2/c12-6(13)4-15-8-9-7(10-11-8)5-2-1-3-14-5/h1-3H,4H2,(H,12,13)(H,9,10,11)/p-1