6-(dimethoxymethyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(dimethoxymethyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(dimethoxymethyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-(dimethoxymethyl)-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 6-(dimethoxymethyl)-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 6-(dimethoxymethyl)-2-(phenacylthio)nicotinonitrile Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-21-17(22-2)14-9-8-13(10-18)16(19-14)23-11-15(20)12-6-4-3-5-7-12/h3-9,17H,11H2,1-2H3