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

Systemtic Name: 3-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H12FN5OS MolecularWeight: 293.319983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC2=NN=C(N2N)SCCC#N)F

Isomeric SMILES

C1=CC=C(C(=C1)OCC2=NN=C(N2N)SCCC#N)F

InChI

InChI=1S/C12H12FN5OS/c13-9-4-1-2-5-10(9)19-8-11-16-17-12(18(11)15)20-7-3-6-14/h1-2,4-5H,3,7-8,15H2