sodium 2-[[5-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoate

Systemtic Name: sodium 2-[[5-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoate Openeye Name: sodium 2-[[5-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate CAS Name: sodium 2-[[5-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-2-tetrazolyl]methyl]benzoate IUPAC Name: sodium 2-[[5-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate Traditional Name: sodium 2-[[5-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate Formula: C23H16N5NaO3S MolecularWeight: 465.45961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2N=C(N=N2)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5S4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)CN2N=C(N=N2)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5S4)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H17N5O3S.Na/c29-23(30)18-9-2-1-6-16(18)13-28-26-22(25-27-28)15-7-5-8-17(12-15)31-14-21-24-19-10-3-4-11-20(19)32-21;/h1-12H,13-14H2,(H,29,30);/q;+1/p-1