4-methyl-1-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]piperazine-2-carboxylic acid

Systemtic Name: 4-methyl-1-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]piperazine-2-carboxylic acid Openeye Name: 4-methyl-1-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]piperazine-2-carboxylic acid CAS Name: 4-methyl-1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]-2-piperazinecarboxylic acid IUPAC Name: 4-methyl-1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]piperazine-2-carboxylic acid Traditional Name: 4-methyl-1-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]piperazine-2-carboxylic acid Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)O)C2=CC=CC(=C2)N3C(=S)N=NN3

Isomeric SMILES

CN1CCN(C(C1)C(=O)O)C2=CC=CC(=C2)N3C(=S)N=NN3

InChI

InChI=1S/C13H16N6O2S/c1-17-5-6-18(11(8-17)12(20)21)9-3-2-4-10(7-9)19-13(22)14-15-16-19/h2-4,7,11H,5-6,8H2,1H3,(H,20,21)(H,14,16,22)