3-nitro-5-[2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-nitro-5-[2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 3-nitro-5-[[2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-nitro-5-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoate IUPAC Name: 3-nitro-5-[[2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-nitro-5-[[2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoate Formula: C16H10N5O5S2- MolecularWeight: 416.4111

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NN=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C2=NN=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S2/c22-13(18-11-5-10(15(23)24)6-12(7-11)21(25)26)8-27-16-20-19-14(28-16)9-1-3-17-4-2-9/h1-7H,8H2,(H,18,22)(H,23,24)/p-1