5-ethyl-6-methyl-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethyl-6-methyl-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 5-ethyl-6-methyl-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 5-ethyl-6-methyl-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 5-ethyl-6-methyl-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 5-ethyl-6-methyl-2-(phenacylthio)nicotinonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H16N2OS/c1-3-13-9-15(10-18)17(19-12(13)2)21-11-16(20)14-7-5-4-6-8-14/h4-9H,3,11H2,1-2H3