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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (4-bromo-2-chloro-phenyl) 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid (4-bromo-2-chloro-phenyl) ester Formula: C15H9BrClN5O4S MolecularWeight: 470.68506

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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=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C15H9BrClN5O4S/c1-21-15(18-19-20-21)27-13-5-3-9(22(24)25)7-10(13)14(23)26-12-4-2-8(16)6-11(12)17/h2-7H,1H3