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

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-[4-(5-bromo-2-pyridyl)piperazino]ethanone Formula: C19H21Br2N3OS MolecularWeight: 499.26254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C19H21Br2N3OS/c1-13-10-17(14(2)9-16(13)21)26-12-19(25)24-7-5-23(6-8-24)18-4-3-15(20)11-22-18/h3-4,9-11H,5-8,12H2,1-2H3