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

Systemtic Name: 2-[[5-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C17H14N3O3S- MolecularWeight: 340.37636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NC(=NN3)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NC(=NN3)SCC(=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c21-16(22)11-24-17-18-15(19-20-17)10-23-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)(H,18,19,20)/p-1