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

Systemtic Name: 3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoate Openeye Name: 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzoate CAS Name: 3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]benzoate IUPAC Name: 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzoate Traditional Name: 3-nitro-4-[(1-phenyltetrazol-5-yl)thio]benzoate Formula: C14H8N5O4S- MolecularWeight: 342.30942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O4S/c20-13(21)9-6-7-12(11(8-9)19(22)23)24-14-15-16-17-18(14)10-4-2-1-3-5-10/h1-8H,(H,20,21)/p-1