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

Systemtic Name: 5-ethanoyl-6-methyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-benzylsulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-benzylsulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(benzylthio)-6-methyl-nicotinonitrile Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C16H14N2OS/c1-11-15(12(2)19)8-14(9-17)16(18-11)20-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3