2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(3-methyl-2-quinoxalinyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3-methylquinoxalin-2-yl)methylthio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(O3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(O3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C23H23N5O3S2/c1-16-21(25-20-11-4-3-10-19(20)24-16)15-32-23-27-26-22(31-23)17-8-7-9-18(14-17)33(29,30)28-12-5-2-6-13-28/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3