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

Systemtic Name: 2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H17N3O3S/c1-2-20-15(18-19-17(20)24-11-16(21)22)10-23-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,21,22)