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

Systemtic Name: 3-oxidanyl-1-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 3-hydroxy-1-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]pyrrolidine-2-carboxylic acid CAS Name: 3-hydroxy-1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-hydroxy-1-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 3-hydroxy-1-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]proline Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1O)C(=O)O)C2=CC=CC(=C2)N3C(=S)N=NN3

Isomeric SMILES

C1CN(C(C1O)C(=O)O)C2=CC=CC(=C2)N3C(=S)N=NN3

InChI

InChI=1S/C12H13N5O3S/c18-9-4-5-16(10(9)11(19)20)7-2-1-3-8(6-7)17-12(21)13-14-15-17/h1-3,6,9-10,18H,4-5H2,(H,19,20)(H,13,15,21)