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

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C11H8Cl2N3O2S- MolecularWeight: 317.17112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9Cl2N3O2S/c1-6-14-15-11(19-5-10(17)18)16(6)7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3,(H,17,18)/p-1