4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(3-morpholinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(3-morpholinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]butan-2-one Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(=O)CCSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H19N3O5S2/c1-12(20)5-10-25-16-18-17-15(24-16)13-3-2-4-14(11-13)26(21,22)19-6-8-23-9-7-19/h2-4,11H,5-10H2,1H3