methyl 4-chloranyl-3-[2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H17Cl3N4O3S MolecularWeight: 499.79798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl3N4O3S/c1-3-27-18(13-6-5-12(21)9-15(13)23)25-26-20(27)31-10-17(28)24-16-8-11(19(29)30-2)4-7-14(16)22/h4-9H,3,10H2,1-2H3,(H,24,28)