2-[3-(4-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-(4-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-(4-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-(4-chlorophenyl)-5-(ethylthio)-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-(4-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-(4-chlorophenyl)-5-(ethylthio)-1,2,4-triazol-4-yl]acetate Formula: C12H11ClN3O2S- MolecularWeight: 296.75264

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC(=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CCSC1=NN=C(N1CC(=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3O2S/c1-2-19-12-15-14-11(16(12)7-10(17)18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,17,18)/p-1