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

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-hydroxy-3-(4-propionylphenoxy)propyl]thio]-6-methyl-nicotinonitrile Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=C(C=C2C#N)C(=O)C)C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=C(C=C2C#N)C(=O)C)C)O

InChI

InChI=1S/C21H22N2O4S/c1-4-20(26)15-5-7-18(8-6-15)27-11-17(25)12-28-21-16(10-22)9-19(14(3)24)13(2)23-21/h5-9,17,25H,4,11-12H2,1-3H3