2-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclooctyl-acetamide Formula: C19H26FN5O2S MolecularWeight: 407.505443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F

InChI

InChI=1S/C19H26FN5O2S/c20-15-10-6-7-11-16(15)27-12-17-23-24-19(25(17)21)28-13-18(26)22-14-8-4-2-1-3-5-9-14/h6-7,10-11,14H,1-5,8-9,12-13,21H2,(H,22,26)