3-[5-(pyridin-2-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-(pyridin-2-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 3-[5-(2-pyridylmethylsulfanyl)tetrazol-1-yl]benzoic acid CAS Name: 3-[5-(2-pyridinylmethylthio)-1-tetrazolyl]benzoic acid IUPAC Name: 3-[5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]benzoic acid Traditional Name: 3-[5-(2-pyridylmethylthio)tetrazol-1-yl]benzoic acid Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=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)