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

Systemtic Name: N-butyl-2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H27FN4OS MolecularWeight: 390.517983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3F

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H27FN4OS/c1-2-3-13-22-18(26)14-27-20-24-23-19(16-11-7-8-12-17(16)21)25(20)15-9-5-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3,(H,22,26)