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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-11-4-5-13(9-18)17(19-11)23-10-14(20)12-6-7-15(21-2)16(8-12)22-3/h4-8H,10H2,1-3H3