6-methyl-2-phenacylsulfanyl-4-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-phenacylsulfanyl-4-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 6-methyl-2-phenacylsulfanyl-4-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-(phenacylthio)-4-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-phenacylsulfanyl-4-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 6-methyl-2-(phenacylthio)-4-(3-pyridyl)nicotinonitrile Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H15N3OS/c1-14-10-17(16-8-5-9-22-12-16)18(11-21)20(23-14)25-13-19(24)15-6-3-2-4-7-15/h2-10,12H,13H2,1H3