2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C21H27FN4OS MolecularWeight: 402.528683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H27FN4OS/c22-18-12-6-5-11-17(18)20-23-24-21(26(20)16-9-3-1-4-10-16)28-15-19(27)25-13-7-2-8-14-25/h5-6,11-12,16H,1-4,7-10,13-15H2