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

Systemtic Name: 4-chloranyl-3-[2-[[5-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[[5-[2-(3,4-dichloroanilino)-2-oxo-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[5-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[[5-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[5-[2-(3,4-dichloroanilino)-2-keto-ethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C21H18Cl3N5O4S MolecularWeight: 542.82272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl3N5O4S/c1-2-29-17(9-18(30)25-12-4-6-13(22)15(24)8-12)27-28-21(29)34-10-19(31)26-16-7-11(20(32)33)3-5-14(16)23/h3-8H,2,9-10H2,1H3,(H,25,30)(H,26,31)(H,32,33)