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

Systemtic Name: cyclohexyl 2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-methyl-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(2-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(2-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC2CCCCC2)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC2CCCCC2)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H25N3O3S/c1-25-20(14-27-19-12-11-16-7-5-6-8-17(16)13-19)23-24-22(25)29-15-21(26)28-18-9-3-2-4-10-18/h5-8,11-13,18H,2-4,9-10,14-15H2,1H3