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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(5-bromo-2-methoxyphenyl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(5-bromo-2-methoxy-benzyl)thio]-6-methyl-nicotinonitrile Formula: C17H15BrN2O2S MolecularWeight: 391.2822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=C(C=CC(=C2)Br)OC)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=C(C=CC(=C2)Br)OC)C#N)C(=O)C

InChI

InChI=1S/C17H15BrN2O2S/c1-10-15(11(2)21)7-12(8-19)17(20-10)23-9-13-6-14(18)4-5-16(13)22-3/h4-7H,9H2,1-3H3