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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)SC1=NN=C(N1C)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C(C(C)C)SC1=NN=C(N1C)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c1-5-26-20(25)19(14(2)3)28-21-23-22-18(24(21)4)13-27-17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14,19H,5,13H2,1-4H3