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

Systemtic Name: 2-[(3-azanylpyridin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-amino-4-pyridyl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(3-amino-4-pyridinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(3-aminopyridin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-amino-4-pyridyl)thio]methyl]benzonitrile Formula: C13H11N3S MolecularWeight: 241.31154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3S/c14-7-10-3-1-2-4-11(10)9-17-13-5-6-16-8-12(13)15/h1-6,8H,9,15H2