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

Systemtic Name: cyclohexyl 2-[[4-ethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-ethyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-ethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C22H30N4O5S2 MolecularWeight: 494.6274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H30N4O5S2/c1-2-26-21(23-24-22(26)32-16-20(27)31-18-6-4-3-5-7-18)17-8-10-19(11-9-17)33(28,29)25-12-14-30-15-13-25/h8-11,18H,2-7,12-16H2,1H3