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

Systemtic Name: ethyl 2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[4-ethyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[4-ethyl-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[4-ethyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)(C)C(=O)OCC)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=NN=C1SC(C)(C)C(=O)OCC)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c1-5-24-18(22-23-20(24)28-21(3,4)19(25)26-6-2)14-27-17-13-9-11-15-10-7-8-12-16(15)17/h7-13H,5-6,14H2,1-4H3