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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=NN1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CSC1=NN=NN1C2=CC=C(C=C2)C(=O)O

InChI

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