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

Systemtic Name: 2-[[4-ethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H20N4O5S2 MolecularWeight: 412.4838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O5S2/c1-2-20-15(17-18-16(20)26-11-14(21)22)12-3-5-13(6-4-12)27(23,24)19-7-9-25-10-8-19/h3-6H,2,7-11H2,1H3,(H,21,22)