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

Systemtic Name: ethyl 2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate Openeye Name: ethyl 2-[[4-ethyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate CAS Name: 2-[[4-ethyl-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanoate Traditional Name: 2-[[4-ethyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]-3-methyl-butyric acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-25-19(14-28-18-13-9-11-16-10-7-8-12-17(16)18)23-24-22(25)29-20(15(3)4)21(26)27-6-2/h7-13,15,20H,5-6,14H2,1-4H3