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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-(4-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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