3-(2-oxidanylidenepropylsulfanyl)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 3-(2-oxidanylidenepropylsulfanyl)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 3-acetonylsulfanyl-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 3-(2-oxopropylthio)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 3-(2-oxopropylsulfanyl)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 3-(acetonylthio)-5-propyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)C

Isomeric SMILES

CCCC1=CC(=O)N=C2N1C(=NN2)SCC(=O)C

InChI

InChI=1S/C11H14N4O2S/c1-3-4-8-5-9(17)12-10-13-14-11(15(8)10)18-6-7(2)16/h5H,3-4,6H2,1-2H3,(H,12,13,17)