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

Systemtic Name: 2-[[5-(4-morpholin-4-ylsulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-morpholinosulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[4-(4-morpholinylsulfonyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-morpholin-4-ylsulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-morpholinosulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)O

InChI

InChI=1S/C20H20N4O5S2/c25-18(26)14-30-20-22-21-19(24(20)16-4-2-1-3-5-16)15-6-8-17(9-7-15)31(27,28)23-10-12-29-13-11-23/h1-9H,10-14H2,(H,25,26)