2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-1-[4-(4-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-(4-pyridin-4-yl-1-piperazinyl)ethanone IUPAC Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(o-tolyl)imidazol-2-yl]thio]-1-[4-(4-pyridyl)piperazino]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c1-17-4-2-3-5-19(17)26-11-10-23-21(26)28-16-20(27)25-14-12-24(13-15-25)18-6-8-22-9-7-18/h2-11H,12-16H2,1H3