potassium 2-[2-pyrrolidin-1-yl-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]ethanoate

Systemtic Name: potassium 2-[2-pyrrolidin-1-yl-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]ethanoate Openeye Name: potassium 2-[2-pyrrolidin-1-yl-4-(5-thioxo-2H-tetrazol-1-yl)phenyl]acetate CAS Name: potassium 2-[2-(1-pyrrolidinyl)-4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetate IUPAC Name: potassium 2-[2-pyrrolidin-1-yl-4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetate Traditional Name: potassium 2-[2-pyrrolidino-4-(5-thioxo-2H-tetrazol-1-yl)phenyl]acetate Formula: C13H14KN5O2S MolecularWeight: 343.44586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)N3C(=S)N=NN3)CC(=O)[O-].[K+]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)N3C(=S)N=NN3)CC(=O)[O-].[K+]

InChI

InChI=1S/C13H15N5O2S.K/c19-12(20)7-9-3-4-10(18-13(21)14-15-16-18)8-11(9)17-5-1-2-6-17;/h3-4,8H,1-2,5-7H2,(H,19,20)(H,14,16,21);/q;+1/p-1