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

Systemtic Name: ethyl 2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[4-methyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-methyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C18H24N4O5S2 MolecularWeight: 440.53696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H24N4O5S2/c1-4-27-17(23)13(2)28-18-20-19-16(21(18)3)14-5-7-15(8-6-14)29(24,25)22-9-11-26-12-10-22/h5-8,13H,4,9-12H2,1-3H3