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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(p-tolylmethylsulfanyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole CAS Name: 2-[(4-methylphenyl)methylthio]-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-methylbenzyl)thio]-5-(4-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-15-4-6-16(7-5-15)14-27-20-22-21-19(26-20)17-8-10-18(11-9-17)28(24,25)23-12-2-3-13-23/h4-11H,2-3,12-14H2,1H3