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

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

CCC1=CC(=CS1)C2=NN=C(N2C)SCC(=O)OCC

Isomeric SMILES

CCC1=CC(=CS1)C2=NN=C(N2C)SCC(=O)OCC

InChI

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