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

Systemtic Name: (4-cyanophenyl) 4-(1-sulfanyl-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: (4-cyanophenyl) 4-(1-sulfanyltetrazol-5-yl)benzoate CAS Name: 4-(1-mercapto-5-tetrazolyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(1-sulfanyltetrazol-5-yl)benzoate Traditional Name: 4-(1-mercaptotetrazol-5-yl)benzoic acid (4-cyanophenyl) ester Formula: C15H9N5O2S MolecularWeight: 323.32926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OC(=O)C2=CC=C(C=C2)C3=NN=NN3S

Isomeric SMILES

C1=CC(=CC=C1C#N)OC(=O)C2=CC=C(C=C2)C3=NN=NN3S

InChI

InChI=1S/C15H9N5O2S/c16-9-10-1-7-13(8-2-10)22-15(21)12-5-3-11(4-6-12)14-17-18-19-20(14)23/h1-8,23H