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

Systemtic Name: 2-[[5-ethyl-4-(3-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-ethyl-4-(3-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-[3-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-ethyl-4-(3-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-[3-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C13H14N3O2S2- MolecularWeight: 308.39916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2S2/c1-3-11-14-15-13(20-8-12(17)18)16(11)9-5-4-6-10(7-9)19-2/h4-7H,3,8H2,1-2H3,(H,17,18)/p-1