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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-methyl-4-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-methyl-4-(3-pyridyl)nicotinonitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H19N3O3S/c1-14-9-17(16-5-4-8-24-12-16)18(11-23)22(25-14)29-13-19(26)15-6-7-20(27-2)21(10-15)28-3/h4-10,12H,13H2,1-3H3