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

Systemtic Name: ethyl 4-[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H16Cl2N4O3S MolecularWeight: 451.32634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N4O3S/c1-2-28-18(27)11-3-6-13(7-4-11)22-16(26)10-29-19-23-17(24-25-19)14-8-5-12(20)9-15(14)21/h3-9H,2,10H2,1H3,(H,22,26)(H,23,24,25)