5-ethanoyl-6-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(4-isopropylphenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(4-propan-2-ylphenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(4-isopropylbenzyl)thio]-6-methyl-nicotinonitrile Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2OS/c1-12(2)16-7-5-15(6-8-16)11-23-19-17(10-20)9-18(14(4)22)13(3)21-19/h5-9,12H,11H2,1-4H3