ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H21N5O3S MolecularWeight: 327.40254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C13H21N5O3S/c1-3-10-14-12(16-15-10)22-9-11(19)17-5-7-18(8-6-17)13(20)21-4-2/h3-9H2,1-2H3,(H,14,15,16)