4-(2H-1,2,3,4-tetrazol-5-ylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(2H-1,2,3,4-tetrazol-5-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(2H-tetrazol-5-ylsulfanylmethyl)benzoic acid CAS Name: 4-[(2H-tetrazol-5-ylthio)methyl]benzoic acid IUPAC Name: 4-(2H-tetrazol-5-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(2H-tetrazol-5-ylthio)methyl]benzoic acid Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNN=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNN=N2)C(=O)O

InChI

InChI=1S/C9H8N4O2S/c14-8(15)7-3-1-6(2-4-7)5-16-9-10-12-13-11-9/h1-4H,5H2,(H,14,15)(H,10,11,12,13)