2-[(4-tert-butylphenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(4-tert-butylphenyl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(4-tert-butylphenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(4-tert-butylbenzyl)thio]-6-methyl-nicotinonitrile Formula: C20H22N2OS MolecularWeight: 338.46648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22N2OS/c1-13-18(14(2)23)10-16(11-21)19(22-13)24-12-15-6-8-17(9-7-15)20(3,4)5/h6-10H,12H2,1-5H3