2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S/c1-11-8-12(2)19-17(15(11)9-18)22-10-16(20)13-4-6-14(21-3)7-5-13/h4-8H,10H2,1-3H3