2-[[4-(5-chloranyl-2,4-dimethoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(5-chloranyl-2,4-dimethoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(5-chloro-2,4-dimethoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(5-chloro-2,4-dimethoxy-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11ClN3O4S- MolecularWeight: 328.75144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2C=NN=C2SCC(=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2C=NN=C2SCC(=O)[O-])Cl)OC

InChI

InChI=1S/C12H12ClN3O4S/c1-19-9-4-10(20-2)8(3-7(9)13)16-6-14-15-12(16)21-5-11(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)/p-1