(4-phenylmethoxyphenyl) 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (4-benzyloxyphenyl) 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid (4-benzoxyphenyl) ester Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H17N5O5S/c1-26-22(23-24-25-26)33-20-12-7-16(27(29)30)13-19(20)21(28)32-18-10-8-17(9-11-18)31-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3