2-(cyanomethylsulfanyl)-4,6-dimethyl-5-phenacyl-pyridine-3-carbonitrile

Systemtic Name: 2-(cyanomethylsulfanyl)-4,6-dimethyl-5-phenacyl-pyridine-3-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-4,6-dimethyl-5-phenacyl-pyridine-3-carbonitrile CAS Name: 2-(cyanomethylthio)-4,6-dimethyl-5-phenacyl-3-pyridinecarbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-4,6-dimethyl-5-phenacylpyridine-3-carbonitrile Traditional Name: 2-(cyanomethylthio)-4,6-dimethyl-5-phenacyl-nicotinonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1CC(=O)C2=CC=CC=C2)C)SCC#N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC(=O)C2=CC=CC=C2)C)SCC#N)C#N

InChI

InChI=1S/C18H15N3OS/c1-12-15(10-17(22)14-6-4-3-5-7-14)13(2)21-18(16(12)11-20)23-9-8-19/h3-7H,9-10H2,1-2H3