2-[[5-(4-methylsulfonylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-methylsulfonylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-methylsulfonylphenyl)tetrazol-2-yl]methyl]benzonitrile CAS Name: 2-[[5-(4-methylsulfonylphenyl)-2-tetrazolyl]methyl]benzonitrile IUPAC Name: 2-[[5-(4-methylsulfonylphenyl)tetrazol-2-yl]methyl]benzonitrile Traditional Name: 2-[[5-(4-mesylphenyl)tetrazol-2-yl]methyl]benzonitrile Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C16H13N5O2S/c1-24(22,23)15-8-6-12(7-9-15)16-18-20-21(19-16)11-14-5-3-2-4-13(14)10-17/h2-9H,11H2,1H3