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

Systemtic Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide CAS Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentylpropanamide IUPAC Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-propionamide Formula: C22H29FN4OS MolecularWeight: 416.555263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4F

Isomeric SMILES

CC(C(=O)NC1CCCC1)SC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H29FN4OS/c1-15(21(28)24-16-9-5-6-10-16)29-22-26-25-20(18-13-7-8-14-19(18)23)27(22)17-11-3-2-4-12-17/h7-8,13-17H,2-6,9-12H2,1H3,(H,24,28)