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

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-methyl-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-methyl-6-(3-pyridyl)nicotinonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)OC)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)OC)C3=CN=CC=C3

InChI

InChI=1S/C21H17N3O2S/c1-14-10-19(16-4-3-9-23-12-16)24-21(18(14)11-22)27-13-20(25)15-5-7-17(26-2)8-6-15/h3-10,12H,13H2,1-2H3