2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C24H29ClN4OS MolecularWeight: 457.03126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H29ClN4OS/c1-7-29-22(17-8-10-18(11-9-17)24(4,5)6)27-28-23(29)31-14-20(30)26-21-16(3)12-15(2)13-19(21)25/h8-13H,7,14H2,1-6H3,(H,26,30)