2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-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=C3C(=CC(=C2)Cl)COCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C3C(=CC(=C2)Cl)COCO3)C

InChI

InChI=1S/C17H15ClN2O2S/c1-10-3-11(2)20-17(15(10)6-19)23-8-13-5-14(18)4-12-7-21-9-22-16(12)13/h3-5H,7-9H2,1-2H3