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

Systemtic Name: ethyl 4-[2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-isopropyltetrazol-5-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-isopropyltetrazol-5-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H22N6O3S MolecularWeight: 342.41718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=NN2C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=NN2C(C)C

InChI

InChI=1S/C13H22N6O3S/c1-4-22-13(21)18-7-5-17(6-8-18)11(20)9-23-12-14-15-16-19(12)10(2)3/h10H,4-9H2,1-3H3