5-ethanoyl-2-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-2-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[3-(4-fluorophenoxy)-2-hydroxy-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[3-(4-fluorophenoxy)-2-hydroxy-propyl]thio]-6-methyl-nicotinonitrile Formula: C18H17FN2O3S MolecularWeight: 360.402583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(COC2=CC=C(C=C2)F)O)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(COC2=CC=C(C=C2)F)O)C#N)C(=O)C

InChI

InChI=1S/C18H17FN2O3S/c1-11-17(12(2)22)7-13(8-20)18(21-11)25-10-15(23)9-24-16-5-3-14(19)4-6-16/h3-7,15,23H,9-10H2,1-2H3