5-ethanoyl-6-methyl-2-(phenoxymethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(phenoxymethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(phenoxymethylsulfanyl)pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(phenoxymethylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(phenoxymethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(phenoxymethylthio)nicotinonitrile Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCOC2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCOC2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C16H14N2O2S/c1-11-15(12(2)19)8-13(9-17)16(18-11)21-10-20-14-6-4-3-5-7-14/h3-8H,10H2,1-2H3