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

Systemtic Name: ethyl 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20N6O3S MolecularWeight: 376.4334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H20N6O3S/c1-2-25-16(24)21-10-8-20(9-11-21)14(23)12-26-15-17-18-19-22(15)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3