3-nitro-5-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-nitro-5-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-nitro-5-[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-nitro-5-[[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-nitro-5-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-nitro-5-[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C22H16N6O5S MolecularWeight: 476.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC(=C3)C(=O)O)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC(=C3)C(=O)O)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C22H16N6O5S/c29-19(24-16-10-15(21(30)31)11-18(12-16)28(32)33)13-34-22-26-25-20(14-6-8-23-9-7-14)27(22)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,29)(H,30,31)