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

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoate Openeye Name: (4-nitrophenyl)methyl 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(1-phenyl-5-tetrazolyl)methylthio]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(1-phenyltetrazol-5-yl)methylthio]benzoic acid (4-nitrobenzyl) ester Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=CC=CC=C3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=CC=CC=C3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S/c28-22(31-14-16-10-12-18(13-11-16)27(29)30)19-8-4-5-9-20(19)32-15-21-23-24-25-26(21)17-6-2-1-3-7-17/h1-13H,14-15H2