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

Systemtic Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[[1-(o-tolyl)imidazol-2-yl]thio]-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H25N5OS/c1-18-4-2-3-5-20(18)27-11-10-24-22(27)29-17-21(28)26-14-12-25(13-15-26)16-19-6-8-23-9-7-19/h2-11H,12-17H2,1H3