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

Systemtic Name: N-tert-butyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H26Cl2N4OS MolecularWeight: 441.41764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26Cl2N4OS/c1-20(2,3)23-17(27)12-28-19-25-24-18(15-10-9-13(21)11-16(15)22)26(19)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,23,27)