ethyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C11H17N5O3S MolecularWeight: 299.34938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NN2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C11H17N5O3S/c1-2-19-11(18)16-5-3-15(4-6-16)9(17)7-20-10-12-8-13-14-10/h8H,2-7H2,1H3,(H,12,13,14)