2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C17H16N2O4S/c1-10-5-12(8-23-2)13(7-18)17(19-10)24-9-16(22)11-3-4-14(20)15(21)6-11/h3-6,20-21H,8-9H2,1-2H3