2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-[(4-bromo-2,5-dimethoxy-benzyl)thio]-6-keto-4-methyl-1H-pyridine-3-carbonitrile Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC2=CC(=C(C=C2OC)Br)OC

InChI

InChI=1S/C16H15BrN2O3S/c1-9-4-15(20)19-16(11(9)7-18)23-8-10-5-14(22-3)12(17)6-13(10)21-2/h4-6H,8H2,1-3H3,(H,19,20)