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

Systemtic Name: N-cyclohexyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-cyclohexyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-cyclohexyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-cyclohexyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-cyclohexyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C25H29FN4OS MolecularWeight: 452.587363

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4OS/c1-29(20-12-6-3-7-13-20)23(31)18-32-25-28-27-24(21-14-8-9-15-22(21)26)30(25)17-16-19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20H,3,6-7,12-13,16-18H2,1H3