1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C16H16BrN7OS2 MolecularWeight: 466.37854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C16H16BrN7OS2/c17-11-8-18-15(19-9-11)23-5-3-22(4-6-23)13(25)10-24-14(20-21-16(24)26)12-2-1-7-27-12/h1-2,7-9H,3-6,10H2,(H,21,26)