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

Systemtic Name: 3-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(1-naphthyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(1-naphthoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)