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

Systemtic Name: methyl 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S2/c1-3-15-10(7-9-5-4-6-18-9)13-14-12(15)19-8-11(16)17-2/h4-6H,3,7-8H2,1-2H3