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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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