3-[[5-(naphthalen-1-yloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-(naphthalen-1-yloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(1-naphthyloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(1-naphthalenyloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-(naphthalen-1-yloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(1-naphthoxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCCC(=O)O)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCCC(=O)O)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H23N3O3S/c28-23(29)14-16-31-24-26-25-22(27(24)15-13-18-7-2-1-3-8-18)17-30-21-12-6-10-19-9-4-5-11-20(19)21/h1-12H,13-17H2,(H,28,29)