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

Systemtic Name: 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(3-morpholinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(3-morpholinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]butyronitrile Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCC#N

InChI

InChI=1S/C16H18N4O4S2/c17-6-1-2-11-25-16-19-18-15(24-16)13-4-3-5-14(12-13)26(21,22)20-7-9-23-10-8-20/h3-5,12H,1-2,7-11H2