2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-1-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]ethanone Formula: C20H21BrN4O2S2 MolecularWeight: 493.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H21BrN4O2S2/c1-14-11-15(21)4-5-16(14)29-13-19(26)25-8-6-24(7-9-25)12-18-22-20(23-27-18)17-3-2-10-28-17/h2-5,10-11H,6-9,12-13H2,1H3