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

Systemtic Name: 4-chloranyl-3-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3S/c1-2-24-17(12-6-4-3-5-7-12)22-23-19(24)28-11-16(25)21-15-10-13(18(26)27)8-9-14(15)20/h3-10H,2,11H2,1H3,(H,21,25)(H,26,27)