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

Systemtic Name: 2-[[4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(4-benzyloxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(4-benzoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S/c1-17(23(28)29)31-24-26-25-22(27(24)20-10-6-3-7-11-20)19-12-14-21(15-13-19)30-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,28,29)