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

Systemtic Name: cyclohexyl 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-ethyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C20H27N3O4S2 MolecularWeight: 437.57608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S2/c1-3-23-18(14-29(25,26)17-11-9-15(2)10-12-17)21-22-20(23)28-13-19(24)27-16-7-5-4-6-8-16/h9-12,16H,3-8,13-14H2,1-2H3