2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22BrN3O3S/c1-14-12-19(15(2)11-16(14)21)28-13-20(25)23-9-7-22(8-10-23)17-5-3-4-6-18(17)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3