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

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3,4-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3,4-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3,4-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3,4-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H10Cl2N3O2S- MolecularWeight: 331.1977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11Cl2N3O2S/c1-2-10-15-16-12(20-6-11(18)19)17(10)7-3-4-8(13)9(14)5-7/h3-5H,2,6H2,1H3,(H,18,19)/p-1