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

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

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O3S/c1-15(21(26)27)29-22-24-23-20(25(22)17-10-3-2-4-11-17)14-28-19-13-7-9-16-8-5-6-12-18(16)19/h2-13,15H,14H2,1H3,(H,26,27)