1-(4-methylphenyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(p-tolyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-methylphenyl)-2-[[5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(p-tolyl)-2-[[5-(4-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S2/c1-15-4-6-16(7-5-15)19(25)14-29-21-23-22-20(28-21)17-8-10-18(11-9-17)30(26,27)24-12-2-3-13-24/h4-11H,2-3,12-14H2,1H3