3-[(3-azanylpyridin-2-yl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(3-azanylpyridin-2-yl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(3-amino-2-pyridyl)sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 3-[[(3-amino-2-pyridinyl)thio]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(3-aminopyridin-2-yl)sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[(3-amino-2-pyridyl)thio]methyl]-4-fluoro-benzonitrile Formula: C13H10FN3S MolecularWeight: 259.302003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=C(C=CC(=C2)C#N)F)N

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=C(C=CC(=C2)C#N)F)N

InChI

InChI=1S/C13H10FN3S/c14-11-4-3-9(7-15)6-10(11)8-18-13-12(16)2-1-5-17-13/h1-6H,8,16H2