4,5,6-trimethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[[2-(p-tolyl)oxazol-4-yl]methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-(4-methylphenyl)-4-oxazolyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[[2-(p-tolyl)oxazol-4-yl]methylthio]nicotinonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C20H19N3OS/c1-12-5-7-16(8-6-12)19-23-17(10-24-19)11-25-20-18(9-21)14(3)13(2)15(4)22-20/h5-8,10H,11H2,1-4H3