3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H21N7O2S MolecularWeight: 363.43794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H21N7O2S/c1-2-6-22-14(24)18-19-15(22)25-11-12(23)20-7-9-21(10-8-20)13-16-4-3-5-17-13/h3-5H,2,6-11H2,1H3,(H,18,24)