4-[2-(3-azanylpyridin-4-yl)sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(3-azanylpyridin-4-yl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(3-amino-4-pyridyl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(3-amino-4-pyridinyl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-(3-aminopyridin-4-yl)sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(3-amino-4-pyridyl)thio]ethoxy]benzonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCSC2=C(C=NC=C2)N

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCSC2=C(C=NC=C2)N

InChI

InChI=1S/C14H13N3OS/c15-9-11-1-3-12(4-2-11)18-7-8-19-14-5-6-17-10-13(14)16/h1-6,10H,7-8,16H2