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

Systemtic Name: 2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(2-hydroxy-3-veratryloxy-propyl)thio]-6-methyl-nicotinonitrile Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(COCC2=CC(=C(C=C2)OC)OC)O)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(COCC2=CC(=C(C=C2)OC)OC)O)C#N)C(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-13-18(14(2)24)8-16(9-22)21(23-13)29-12-17(25)11-28-10-15-5-6-19(26-3)20(7-15)27-4/h5-8,17,25H,10-12H2,1-4H3