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

Systemtic Name: 2-[[1-(4-nitrophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]ethanoate Openeye Name: 2-[[1-(4-nitrophenyl)tetrazol-5-yl]methylsulfanyl]acetate CAS Name: 2-[[1-(4-nitrophenyl)-5-tetrazolyl]methylthio]acetate IUPAC Name: 2-[[1-(4-nitrophenyl)tetrazol-5-yl]methylsulfanyl]acetate Traditional Name: 2-[[1-(4-nitrophenyl)tetrazol-5-yl]methylthio]acetate Formula: C10H8N5O4S- MolecularWeight: 294.26662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=N2)CSCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=N2)CSCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O4S/c16-10(17)6-20-5-9-11-12-13-14(9)7-1-3-8(4-2-7)15(18)19/h1-4H,5-6H2,(H,16,17)/p-1