2-[[4-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O

InChI

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