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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CS1)C2=NN=C(N2CC)SCC(=O)OC

Isomeric SMILES

CCC1=CC(=CS1)C2=NN=C(N2CC)SCC(=O)OC

InChI

InChI=1S/C13H17N3O2S2/c1-4-10-6-9(7-19-10)12-14-15-13(16(12)5-2)20-8-11(17)18-3/h6-7H,4-5,8H2,1-3H3