2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-butylphenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C20H22N2OS MolecularWeight: 338.46648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C20H22N2OS/c1-4-5-6-16-7-9-17(10-8-16)19(23)13-24-20-18(12-21)14(2)11-15(3)22-20/h7-11H,4-6,13H2,1-3H3