4,5,6-trimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-(phenacylthio)nicotinonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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