2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCN(CC3)C4=CC=NC=C4

InChI

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