2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5,6-trimethyl-nicotinonitrile Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O2S/c1-10-11(2)16(6-20)18(21-12(10)3)24-8-14-5-15(19)4-13-7-22-9-23-17(13)14/h4-5H,7-9H2,1-3H3