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

Systemtic Name: methyl 3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoate Openeye Name: methyl 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzoate CAS Name: 3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzoate Traditional Name: 3-nitro-4-[(1-phenyltetrazol-5-yl)thio]benzoic acid methyl ester Formula: C15H11N5O4S MolecularWeight: 357.34394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O4S/c1-24-14(21)10-7-8-13(12(9-10)20(22)23)25-15-16-17-18-19(15)11-5-3-2-4-6-11/h2-9H,1H3