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

Systemtic Name: 2-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C9H9N4O2S2- MolecularWeight: 269.32336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C9H10N4O2S2/c10-13-7(4-6-2-1-3-16-6)11-12-9(13)17-5-8(14)15/h1-3H,4-5,10H2,(H,14,15)/p-1