2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC2=NC(=NN2)SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-15(2,3)10-6-4-5-7-11(10)21-8-12-16-14(18-17-12)22-9-13(19)20/h4-7H,8-9H2,1-3H3,(H,19,20)(H,16,17,18)