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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]-6-methyl-4-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]-6-methyl-4-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]-6-methyl-4-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)thio]acetyl]-6-methyl-4-(3-pyridyl)nicotinonitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)C(=O)CSC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)C(=O)CSC3=CC(=C(C=C3)OC)OC

InChI

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