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

Systemtic Name: methyl 2-[[4-ethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H22N4O5S2 MolecularWeight: 426.51038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H22N4O5S2/c1-3-21-16(18-19-17(21)27-12-15(22)25-2)13-4-6-14(7-5-13)28(23,24)20-8-10-26-11-9-20/h4-7H,3,8-12H2,1-2H3