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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CSC2=C(C=NC=C2)N)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CSC2=C(C=NC=C2)N)F

InChI

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