2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C19H18Cl2N4OS MolecularWeight: 421.34342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N4OS/c1-25-18(15-8-7-14(20)11-16(15)21)23-24-19(25)27-12-17(26)22-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,22,26)