2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C23H24FN3OS MolecularWeight: 409.519563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4F

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H24FN3OS/c1-16(21(28)17-10-4-2-5-11-17)29-23-26-25-22(19-14-8-9-15-20(19)24)27(23)18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3