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

Systemtic Name: 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-phenyl-5-tetrazolyl)thio]methyl]benzoate IUPAC Name: 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-phenyltetrazol-5-yl)thio]methyl]benzoate Formula: C15H11N4O2S- MolecularWeight: 311.33844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c20-14(21)12-8-6-11(7-9-12)10-22-15-16-17-18-19(15)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,21)/p-1