2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)ethyl 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)ethyl 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)ethyl 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid 2-(2,1,3-benzoxadiazol-5-ylmethylthio)ethyl ester IUPAC Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)ethyl 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid 2-(benzofurazan-5-ylmethylthio)ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)OCCSCC3=CC4=NON=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)OCCSCC3=CC4=NON=C4C=C3

InChI

InChI=1S/C19H21N5O3S/c25-19(24-9-7-23(8-10-24)18-3-1-2-6-20-18)26-11-12-28-14-15-4-5-16-17(13-15)22-27-21-16/h1-6,13H,7-12,14H2