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

Systemtic Name: 2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-(2-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-methyl-5-(2-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H15N3O3S/c1-19-14(17-18-16(19)23-10-15(20)21)9-22-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3,(H,20,21)