4-[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 4-[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1-tetrazolyl]benzoate IUPAC Name: 4-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[[2-keto-2-(4-nitrophenyl)ethyl]thio]tetrazol-1-yl]benzoate Formula: C16H10N5O5S- MolecularWeight: 384.3461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S/c22-14(10-1-7-13(8-2-10)21(25)26)9-27-16-17-18-19-20(16)12-5-3-11(4-6-12)15(23)24/h1-8H,9H2,(H,23,24)/p-1