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

Systemtic Name: N-cyclooctyl-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclooctyl-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclooctyl-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclooctyl-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H27FN4OS MolecularWeight: 402.528683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H27FN4OS/c22-18-11-7-6-10-17(18)20-24-25-21(26(20)16-12-13-16)28-14-19(27)23-15-8-4-2-1-3-5-9-15/h6-7,10-11,15-16H,1-5,8-9,12-14H2,(H,23,27)