5-[3-[(2,5-dimethylphenyl)methylsulfonyl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[3-[(2,5-dimethylphenyl)methylsulfonyl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[3-[(2,5-dimethylphenyl)methylsulfonyl]propyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[3-[(2,5-dimethylphenyl)methylsulfonyl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[3-[(2,5-dimethylphenyl)methylsulfonyl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[3-(2,5-dimethylbenzyl)sulfonylpropyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CS(=O)(=O)CCCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CS(=O)(=O)CCCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C18H20N2O3S2/c1-13-7-8-14(2)15(11-13)12-25(21,22)10-4-6-17-19-18(20-23-17)16-5-3-9-24-16/h3,5,7-9,11H,4,6,10,12H2,1-2H3