2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide

Systemtic Name: 2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3F

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3F

InChI

InChI=1S/C21H23FN4O2S/c1-3-13-23-20(27)15(2)29-21-25-24-19(26(21)16-9-5-4-6-10-16)14-28-18-12-8-7-11-17(18)22/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)