5-ethanoyl-6-methyl-2-phenethylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-phenethylsulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-phenethylsulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(phenethylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-phenethylsulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(phenethylthio)nicotinonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCC2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCC2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C17H16N2OS/c1-12-16(13(2)20)10-15(11-18)17(19-12)21-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3