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

Systemtic Name: 3-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-ethyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-ethyl-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-ethyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)O)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)O)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H19N3O3S/c1-2-21-16(19-20-18(21)25-11-10-17(22)23)12-24-15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,2,10-12H2,1H3,(H,22,23)