2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-methyl-nicotinonitrile Formula: C15H11ClN2O2S MolecularWeight: 318.77804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C15H11ClN2O2S/c1-9-2-3-10(6-17)15(18-9)21-7-11-4-13-14(5-12(11)16)20-8-19-13/h2-5H,7-8H2,1H3