2-methylsulfanyl-5-(1,2,3,4-tetrazol-1-yl)benzoic acid

Systemtic Name: 2-methylsulfanyl-5-(1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: 2-methylsulfanyl-5-(tetrazol-1-yl)benzoic acid CAS Name: 2-(methylthio)-5-(1-tetrazolyl)benzoic acid IUPAC Name: 2-methylsulfanyl-5-(tetrazol-1-yl)benzoic acid Traditional Name: 2-(methylthio)-5-(tetrazol-1-yl)benzoic acid Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)N2C=NN=N2)C(=O)O

Isomeric SMILES

CSC1=C(C=C(C=C1)N2C=NN=N2)C(=O)O

InChI

InChI=1S/C9H8N4O2S/c1-16-8-3-2-6(4-7(8)9(14)15)13-5-10-11-12-13/h2-5H,1H3,(H,14,15)