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

Systemtic Name: 2-[[5-methyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-methyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-4-[4-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-methyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-methyl-4-[4-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C12H12N3O2S2- MolecularWeight: 294.37258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S2/c1-8-13-14-12(19-7-11(16)17)15(8)9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H,16,17)/p-1