2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C17H17FN2OS MolecularWeight: 316.393083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/C17H17FN2OS/c1-10-11(2)14(8-19)17(20-12(10)3)22-9-13-5-6-16(21-4)15(18)7-13/h5-7H,9H2,1-4H3