2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C(=C2)Cl)OCCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C(=C2)Cl)OCCO3)C

InChI

InChI=1S/C17H15ClN2O2S/c1-10-5-11(2)20-17(13(10)8-19)23-9-12-6-14(18)16-15(7-12)21-3-4-22-16/h5-7H,3-4,9H2,1-2H3