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

Systemtic Name: 2-[[4-(3,5-dimethylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3,5-dimethylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3,5-dimethylphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3,5-dimethylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3,5-dimethylphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-4-12-15-16-14(20-8-13(18)19)17(12)11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H,18,19)