2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-methyl-nicotinonitrile Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC3=C(C=C2Br)OCCO3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC3=C(C=C2Br)OCCO3)C#N)C(=O)C

InChI

InChI=1S/C18H15BrN2O3S/c1-10-14(11(2)22)5-12(8-20)18(21-10)25-9-13-6-16-17(7-15(13)19)24-4-3-23-16/h5-7H,3-4,9H2,1-2H3