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

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(2-pyridyl)piperazino]-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H20N6OS2 MolecularWeight: 400.521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6OS2/c25-17(24-9-7-23(8-10-24)16-5-1-2-6-19-16)13-27-18-20-15(21-22-18)12-14-4-3-11-26-14/h1-6,11H,7-10,12-13H2,(H,20,21,22)