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

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H9ClN3O3S- MolecularWeight: 298.72546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)[O-])Cl

InChI

InChI=1S/C11H10ClN3O3S/c1-18-9-3-2-7(4-8(9)12)15-6-13-14-11(15)19-5-10(16)17/h2-4,6H,5H2,1H3,(H,16,17)/p-1