2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-(4-pyrazin-2-ylpiperazino)ethanone Formula: C18H21BrN4OS MolecularWeight: 421.35454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4OS/c1-13-10-16(14(2)9-15(13)19)25-12-18(24)23-7-5-22(6-8-23)17-11-20-3-4-21-17/h3-4,9-11H,5-8,12H2,1-2H3