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

Systemtic Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylbutyl)acetamide Formula: C21H28Cl2N4OS MolecularWeight: 455.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H28Cl2N4OS/c1-3-7-14(2)24-19(28)13-29-21-26-25-20(17-11-10-15(22)12-18(17)23)27(21)16-8-5-4-6-9-16/h10-12,14,16H,3-9,13H2,1-2H3,(H,24,28)