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

Systemtic Name: methyl 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C15H19N3O4S/c1-5-18-14(16-17-15(18)23-9-13(19)22-4)10-6-11(20-2)8-12(7-10)21-3/h6-8H,5,9H2,1-4H3