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

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

CC(C#N)SC1=NN=C(N1N)COC2=CC=C(C=C2)F

Isomeric SMILES

CC(C#N)SC1=NN=C(N1N)COC2=CC=C(C=C2)F

InChI

InChI=1S/C12H12FN5OS/c1-8(6-14)20-12-17-16-11(18(12)15)7-19-10-4-2-9(13)3-5-10/h2-5,8H,7,15H2,1H3