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

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H17N7OS2 MolecularWeight: 387.48248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H17N7OS2/c24-13(11-26-16-19-14(20-21-16)12-3-1-10-25-12)22-6-8-23(9-7-22)15-17-4-2-5-18-15/h1-5,10H,6-9,11H2,(H,19,20,21)