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

Systemtic Name: 3-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c22-17(23)11-12-25-18-20-19-16(13-24-15-9-5-2-6-10-15)21(18)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,22,23)