2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-6-(3-pyridyl)nicotinonitrile Formula: C21H17N3OS MolecularWeight: 359.44418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=CN=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=CN=CC=C3)C#N)C

InChI

InChI=1S/C21H17N3OS/c1-14-5-7-18(15(2)10-14)20(25)13-26-21-16(11-22)6-8-19(24-21)17-4-3-9-23-12-17/h3-10,12H,13H2,1-2H3