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

Systemtic Name: ethyl 2-[[4-ethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[4-ethyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-ethyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-ethyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C19H26N4O5S2 MolecularWeight: 454.56354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)OCC)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)OCC)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H26N4O5S2/c1-4-23-17(20-21-19(23)29-14(3)18(24)28-5-2)15-6-8-16(9-7-15)30(25,26)22-10-12-27-13-11-22/h6-9,14H,4-5,10-13H2,1-3H3