1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperidin-4-one

Systemtic Name: 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperidin-4-one Openeye Name: 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperidin-4-one CAS Name: 1-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-4-piperidinone IUPAC Name: 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperidin-4-one Traditional Name: 1-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]-4-piperidone Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C(=O)CSC2=NC=NN2

Isomeric SMILES

C1CN(CCC1=O)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C9H12N4O2S/c14-7-1-3-13(4-2-7)8(15)5-16-9-10-6-11-12-9/h6H,1-5H2,(H,10,11,12)