5-ethanoyl-2-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-2-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]thio]-6-methyl-nicotinonitrile Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(CSC2=NC(=C(C=C2C#N)C(=O)C)C)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-5-6-16-7-8-20(21(9-16)27-4)28-12-18(26)13-29-22-17(11-23)10-19(15(3)25)14(2)24-22/h5-10,18,26H,12-13H2,1-4H3/b6-5+