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

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-4-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=CC(=C(C=C2)OC)Cl)SCC(=O)[O-]

Isomeric SMILES

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

InChI

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