[4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl] benzoate

Systemtic Name: [4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl] benzoate Openeye Name: [4-(5-thioxo-2H-tetrazol-1-yl)phenyl] benzoate CAS Name: benzoic acid [4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl] ester IUPAC Name: [4-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(5-thioxo-2H-tetrazol-1-yl)phenyl] ester Formula: C14H10N4O2S MolecularWeight: 298.3198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C(=S)N=NN3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C(=S)N=NN3

InChI

InChI=1S/C14H10N4O2S/c19-13(10-4-2-1-3-5-10)20-12-8-6-11(7-9-12)18-14(21)15-16-17-18/h1-9H,(H,15,17,21)