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

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H24N6O2S MolecularWeight: 376.47646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H24N6O2S/c1-2-3-8-23-16(25)19-20-17(23)26-13-15(24)22-11-9-21(10-12-22)14-6-4-5-7-18-14/h4-7H,2-3,8-13H2,1H3,(H,19,25)