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

Systemtic Name: ethyl 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)CC2=CC=CS2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)CC2=CC=CS2

InChI

InChI=1S/C13H17N3O2S2/c1-3-16-11(8-10-6-5-7-19-10)14-15-13(16)20-9-12(17)18-4-2/h5-7H,3-4,8-9H2,1-2H3