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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-16-9-10-17(2)19(13-16)15-29-22-24-23-21(28-22)18-7-6-8-20(14-18)30(26,27)25-11-4-3-5-12-25/h6-10,13-14H,3-5,11-12,15H2,1-2H3