disodium 2-[[3-(5-sulfanidyl-1,2,3,4-tetrazol-1-yl)phenyl]amino]propanoate

Systemtic Name: disodium 2-[[3-(5-sulfanidyl-1,2,3,4-tetrazol-1-yl)phenyl]amino]propanoate Openeye Name: disodium 2-[3-(5-sulfidotetrazol-1-yl)anilino]propanoate CAS Name: disodium 2-[3-(5-sulfido-1-tetrazolyl)anilino]propanoate IUPAC Name: disodium 2-[3-(5-sulfidotetrazol-1-yl)anilino]propanoate Traditional Name: disodium 2-[3-(5-sulfidotetrazol-1-yl)anilino]propionate Formula: C10H9N5Na2O2S MolecularWeight: 309.2553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC1=CC=CC(=C1)N2C(=NN=N2)[S-].[Na+].[Na+]

Isomeric SMILES

CC(C(=O)[O-])NC1=CC=CC(=C1)N2C(=NN=N2)[S-].[Na+].[Na+]

InChI

InChI=1S/C10H11N5O2S.2Na/c1-6(9(16)17)11-7-3-2-4-8(5-7)15-10(18)12-13-14-15;;/h2-6,11H,1H3,(H,16,17)(H,12,14,18);;/q;2*+1/p-2