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

Systemtic Name: 2-chloranyl-5-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C17H14ClN5O3S MolecularWeight: 403.84276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C17H14ClN5O3S/c1-23-15(10-4-6-19-7-5-10)21-22-17(23)27-9-14(24)20-11-2-3-13(18)12(8-11)16(25)26/h2-8H,9H2,1H3,(H,20,24)(H,25,26)