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

Systemtic Name: 2-chloranyl-4-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-4-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-4-[[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-4-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C22H16ClN5O3S MolecularWeight: 465.91214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C(=O)O)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C(=O)O)Cl)C4=CN=CC=C4

InChI

InChI=1S/C22H16ClN5O3S/c23-18-11-15(8-9-17(18)21(30)31)25-19(29)13-32-22-27-26-20(14-5-4-10-24-12-14)28(22)16-6-2-1-3-7-16/h1-12H,13H2,(H,25,29)(H,30,31)