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

Systemtic Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H18N8OS MolecularWeight: 382.44282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C17H18N8OS/c26-14(24-8-10-25(11-9-24)16-19-4-1-5-20-16)12-27-17-21-15(22-23-17)13-2-6-18-7-3-13/h1-7H,8-12H2,(H,21,22,23)