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

Systemtic Name: 3-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C12H14FN5O2S MolecularWeight: 311.335263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(N2N)SCCC(=O)N)F

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(N2N)SCCC(=O)N)F

InChI

InChI=1S/C12H14FN5O2S/c13-8-1-3-9(4-2-8)20-7-11-16-17-12(18(11)15)21-6-5-10(14)19/h1-4H,5-7,15H2,(H2,14,19)