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

Systemtic Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C21H29FN4OS MolecularWeight: 404.544563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3F

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H29FN4OS/c1-3-15(4-2)23-19(27)14-28-21-25-24-20(17-12-8-9-13-18(17)22)26(21)16-10-6-5-7-11-16/h8-9,12-13,15-16H,3-7,10-11,14H2,1-2H3,(H,23,27)