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

Systemtic Name: 2-[[5-[(2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-isopropylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-isopropylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-9(2)10-5-3-4-6-11(10)20-7-12-15-14(17-16-12)21-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H,15,16,17)/p-1