4,6-dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(phenacylthio)nicotinonitrile Formula: C16H14N2OS MolecularWeight: 282.36016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=CC=C2)C

InChI

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