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

Systemtic Name: (4-cyanophenyl) 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-cyanophenyl) 4-(5-thioxo-2H-tetrazol-1-yl)benzoate CAS Name: 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate Traditional Name: 4-(5-thioxo-2H-tetrazol-1-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)N3C(=S)N=NN3

Isomeric SMILES

C1=CC(=CC=C1C#N)OC(=O)C2=CC=C(C=C2)N3C(=S)N=NN3

InChI

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