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

Systemtic Name: 2-chloranyl-5-[5-[(4-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 2-chloro-5-[5-[(4-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate CAS Name: 2-chloro-5-[5-[(4-nitrophenyl)methylthio]-1-tetrazolyl]benzoate IUPAC Name: 2-chloro-5-[5-[(4-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 2-chloro-5-[5-[(4-nitrobenzyl)thio]tetrazol-1-yl]benzoate Formula: C15H9ClN5O4S- MolecularWeight: 390.78106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10ClN5O4S/c16-13-6-5-11(7-12(13)14(22)23)20-15(17-18-19-20)26-8-9-1-3-10(4-2-9)21(24)25/h1-7H,8H2,(H,22,23)/p-1