2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-(4-pyridin-4-yl-1-piperazinyl)ethanone IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-1-[4-(4-pyridyl)piperazino]ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=NC=C4)C

InChI

InChI=1S/C22H25N5OS/c1-17-13-18(2)15-20(14-17)27-8-7-24-22(27)29-16-21(28)26-11-9-25(10-12-26)19-3-5-23-6-4-19/h3-8,13-15H,9-12,16H2,1-2H3