[3-(1,2,3,4-tetrazol-1-yl)phenyl] 3-cyanobenzenesulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 3-cyanobenzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C14H9N5O3S MolecularWeight: 327.31796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)C#N

InChI

InChI=1S/C14H9N5O3S/c15-9-11-3-1-6-14(7-11)23(20,21)22-13-5-2-4-12(8-13)19-10-16-17-18-19/h1-8,10H