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

Systemtic Name: (phenylmethyl) 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoate Openeye Name: benzyl 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(1-phenyl-5-tetrazolyl)methylthio]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(1-phenyltetrazol-5-yl)methylthio]benzoic acid benzyl ester Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c27-22(28-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)29-16-21-23-24-25-26(21)18-11-5-2-6-12-18/h1-14H,15-16H2