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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4OS/c1-3-9-15(2)23-19(27)14-28-21-25-24-20(17-12-7-8-13-18(17)22)26(21)16-10-5-4-6-11-16/h7-8,12-13,15-16H,3-6,9-11,14H2,1-2H3,(H,23,27)