(phenylmethyl) 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]acetic acid benzyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O2S/c21-15(22-11-13-7-3-1-4-8-13)12-23-16-17-18-19-20(16)14-9-5-2-6-10-14/h1-10H,11-12H2