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

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H19N7OS2 MolecularWeight: 401.50906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C17H19N7OS2/c25-15(23-6-8-24(9-7-23)16-18-4-2-5-19-16)12-27-17-20-14(21-22-17)11-13-3-1-10-26-13/h1-5,10H,6-9,11-12H2,(H,20,21,22)