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

Systemtic Name: ethyl 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C14H17N3O4S/c1-4-21-12(18)8-22-14-15-13(16-17-14)9-5-10(19-2)7-11(6-9)20-3/h5-7H,4,8H2,1-3H3,(H,15,16,17)