4,6-dimethyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(4-propan-2-ylphenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[(4-isopropylbenzyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C18H20N2S MolecularWeight: 296.4298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C18H20N2S/c1-12(2)16-7-5-15(6-8-16)11-21-18-17(10-19)13(3)9-14(4)20-18/h5-9,12H,11H2,1-4H3