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

Systemtic Name: 2-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C15H20FN5O2S MolecularWeight: 353.415003

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1N)COC2=CC=C(C=C2)F

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1N)COC2=CC=C(C=C2)F

InChI

InChI=1S/C15H20FN5O2S/c1-3-8-18-14(22)10(2)24-15-20-19-13(21(15)17)9-23-12-6-4-11(16)5-7-12/h4-7,10H,3,8-9,17H2,1-2H3,(H,18,22)