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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[3-(1-piperidylsulfonyl)phenyl]-5-(p-tolylmethylsulfanyl)-1,3,4-oxadiazole CAS Name: 2-[(4-methylphenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-methylbenzyl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-16-8-10-17(11-9-16)15-28-21-23-22-20(27-21)18-6-5-7-19(14-18)29(25,26)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3