2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C15H21N7OS MolecularWeight: 347.43854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H21N7OS/c1-2-4-12-18-19-15(24)22(12)11-13(23)20-7-9-21(10-8-20)14-16-5-3-6-17-14/h3,5-6H,2,4,7-11H2,1H3,(H,19,24)