2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(4-bromo-2,5-dimethoxy-benzyl)thio]-6-methyl-nicotinonitrile Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC(=C(C=C2OC)Br)OC)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC(=C(C=C2OC)Br)OC)C#N)C(=O)C

InChI

InChI=1S/C18H17BrN2O3S/c1-10-14(11(2)22)5-12(8-20)18(21-10)25-9-13-6-17(24-4)15(19)7-16(13)23-3/h5-7H,9H2,1-4H3