2-[[4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-benzyloxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-benzoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C23H18N3O3S- MolecularWeight: 416.47232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)[O-]

InChI

InChI=1S/C23H19N3O3S/c27-21(28)16-30-23-25-24-22(26(23)19-9-5-2-6-10-19)18-11-13-20(14-12-18)29-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,28)/p-1