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

Systemtic Name: 2-[[4-(5-chloranyl-2-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(5-chloro-2-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(5-chloro-2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(5-chloro-2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(5-chloro-2-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11ClN3O3S- MolecularWeight: 312.75204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=CC(=C2)Cl)OC)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=C(C=CC(=C2)Cl)OC)SCC(=O)[O-]

InChI

InChI=1S/C12H12ClN3O3S/c1-7-14-15-12(20-6-11(17)18)16(7)9-5-8(13)3-4-10(9)19-2/h3-5H,6H2,1-2H3,(H,17,18)/p-1