cyclohexyl 2-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyclohexyl 2-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(besylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC2CCCCC2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC2CCCCC2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4S2/c1-2-22-17(14-28(24,25)16-11-7-4-8-12-16)20-21-19(22)27-13-18(23)26-15-9-5-3-6-10-15/h4,7-8,11-12,15H,2-3,5-6,9-10,13-14H2,1H3