2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-[4-(4-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-(4-pyridin-4-yl-1-piperazinyl)ethanone IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-1-[4-(4-pyridyl)piperazino]ethanone Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C18H20BrN3OS/c1-14-12-15(19)2-3-17(14)24-13-18(23)22-10-8-21(9-11-22)16-4-6-20-7-5-16/h2-7,12H,8-11,13H2,1H3