5-ethanoyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-6-methyl-nicotinonitrile Formula: C18H15FN2O3S MolecularWeight: 358.386703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=C3C(=CC(=C2)F)COCO3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=C3C(=CC(=C2)F)COCO3)C#N)C(=O)C

InChI

InChI=1S/C18H15FN2O3S/c1-10-16(11(2)22)5-12(6-20)18(21-10)25-8-14-4-15(19)3-13-7-23-9-24-17(13)14/h3-5H,7-9H2,1-2H3