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

Systemtic Name: 2-[[5-ethyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-[4-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-[4-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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