3-chloranyl-4-(pyridin-2-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-(pyridin-2-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-chloro-4-(2-pyridylsulfanylmethyl)benzonitrile CAS Name: 3-chloro-4-[(2-pyridinylthio)methyl]benzonitrile IUPAC Name: 3-chloro-4-(pyridin-2-ylsulfanylmethyl)benzonitrile Traditional Name: 3-chloro-4-[(2-pyridylthio)methyl]benzonitrile Formula: C13H9ClN2S MolecularWeight: 260.74196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C1=CC=NC(=C1)SCC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C13H9ClN2S/c14-12-7-10(8-15)4-5-11(12)9-17-13-3-1-2-6-16-13/h1-7H,9H2