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

Systemtic Name: 2-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C11H10FN5OS MolecularWeight: 279.293403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(N2N)SCC#N)F

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(N2N)SCC#N)F

InChI

InChI=1S/C11H10FN5OS/c12-8-1-3-9(4-2-8)18-7-10-15-16-11(17(10)14)19-6-5-13/h1-4H,6-7,14H2