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

Systemtic Name: 2-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-(2-thienylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetate CAS Name: 2-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-(2-thenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetate Formula: C9H8N3O2S2- MolecularWeight: 254.30872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NNC(=S)N2CC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NNC(=S)N2CC(=O)[O-]

InChI

InChI=1S/C9H9N3O2S2/c13-8(14)5-12-7(10-11-9(12)15)4-6-2-1-3-16-6/h1-3H,4-5H2,(H,11,15)(H,13,14)/p-1