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

Systemtic Name: 2-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[4-amino-5-[(4-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=C(C=C3)F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN5O2S/c20-14-8-10-16(11-9-14)27-12-17-23-24-19(25(17)21)28-13-18(26)22-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12-13,21H2,(H,22,26)