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

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

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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

Isomeric SMILES

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

InChI

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