2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H23N7OS MolecularWeight: 385.48652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C18H23N7OS/c26-15(23-8-10-24(11-9-23)17-19-6-1-7-20-17)12-27-18-22-21-16(13-2-3-13)25(18)14-4-5-14/h1,6-7,13-14H,2-5,8-12H2