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

Systemtic Name: 2-[[5-ethyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(4-methylbenzyl)-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(N1CC2=CC=C(C=C2)C)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1CC2=CC=C(C=C2)C)SCC(=O)O

InChI

InChI=1S/C14H17N3O2S/c1-3-12-15-16-14(20-9-13(18)19)17(12)8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,18,19)