3-[5-(pyridin-1-ium-2-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 3-[5-(pyridin-1-ium-2-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 3-[5-(pyridin-1-ium-2-ylmethylsulfanyl)tetrazol-1-yl]benzoate CAS Name: 3-[5-(2-pyridin-1-iumylmethylthio)-1-tetrazolyl]benzoate IUPAC Name: 3-[5-(pyridin-1-ium-2-ylmethylsulfanyl)tetrazol-1-yl]benzoate Traditional Name: 3-[5-(pyridin-1-ium-2-ylmethylthio)tetrazol-1-yl]benzoate Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C14H11N5O2S/c20-13(21)10-4-3-6-12(8-10)19-14(16-17-18-19)22-9-11-5-1-2-7-15-11/h1-8H,9H2,(H,20,21)