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

Systemtic Name: N-tert-butyl-2-[[5-[(2-chlorophenyl)methylsulfanylmethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[5-[(2-chlorophenyl)methylsulfanylmethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[5-[[(2-chlorophenyl)methylthio]methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-[(2-chlorophenyl)methylsulfanylmethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[5-[[(2-chlorobenzyl)thio]methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H31ClN4OS2 MolecularWeight: 467.09074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)CSCC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)CSCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H31ClN4OS2/c1-22(2,3)24-20(28)15-30-21-26-25-19(27(21)17-10-5-4-6-11-17)14-29-13-16-9-7-8-12-18(16)23/h7-9,12,17H,4-6,10-11,13-15H2,1-3H3,(H,24,28)