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

Systemtic Name: 2-chloranyl-5-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C18H16ClN5O3S MolecularWeight: 417.86934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C18H16ClN5O3S/c1-2-24-16(11-5-7-20-8-6-11)22-23-18(24)28-10-15(25)21-12-3-4-14(19)13(9-12)17(26)27/h3-9H,2,10H2,1H3,(H,21,25)(H,26,27)