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

Systemtic Name: 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 2-phenylsulfanyl-1-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone CAS Name: 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 2-(phenylthio)-1-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidino]ethanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN3C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN3C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-15-9-11-16(12-10-15)20-22-21(26-23-20)18-8-5-13-24(18)19(25)14-27-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3