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

Systemtic Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O3S- MolecularWeight: 320.38672

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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)/p-1