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

Systemtic Name: 2-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1-naphthyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1-naphthoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H17N3O3S/c25-20(26)14-28-21-23-22-19(24(21)16-9-2-1-3-10-16)13-27-18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,25,26)