2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O3S/c1-14-12-15(20)2-7-18(14)27-13-19(24)22-10-8-21(9-11-22)16-3-5-17(6-4-16)23(25)26/h2-7,12H,8-11,13H2,1H3