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

Systemtic Name: methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate CAS Name: 4-[5-[(3-nitrophenyl)methylthio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 4-[5-[(3-nitrobenzyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S/c1-25-15(22)12-5-7-13(8-6-12)20-16(17-18-19-20)26-10-11-3-2-4-14(9-11)21(23)24/h2-9H,10H2,1H3