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

Systemtic Name: 2-[[4-(5-chloranyl-2-methoxy-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(5-chloro-2-methoxy-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(5-chloro-2-methoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(5-chloro-2-methoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(5-chloro-2-methoxy-phenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H13ClN3O3S- MolecularWeight: 326.77862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=CC(=C2)Cl)OC)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=CC(=C2)Cl)OC)SCC(=O)[O-]

InChI

InChI=1S/C13H14ClN3O3S/c1-3-11-15-16-13(21-7-12(18)19)17(11)9-6-8(14)4-5-10(9)20-2/h4-6H,3,7H2,1-2H3,(H,18,19)/p-1