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

Systemtic Name: 4-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 4-(5-methylsulfanyltetrazol-1-yl)benzoate CAS Name: 4-[5-(methylthio)-1-tetrazolyl]benzoate IUPAC Name: 4-(5-methylsulfanyltetrazol-1-yl)benzoate Traditional Name: 4-[5-(methylthio)tetrazol-1-yl]benzoate Formula: C9H7N4O2S- MolecularWeight: 235.24248

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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)/p-1