2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-5-chloranyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-5-chloranyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 5-chloro-2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 5-chloro-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 5-chloro-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 5-chloro-2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1Cl)C)SCC(=O)C2=CC(=C(C=C2)O)O)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1Cl)C)SCC(=O)C2=CC(=C(C=C2)O)O)C#N

InChI

InChI=1S/C16H13ClN2O3S/c1-8-11(6-18)16(19-9(2)15(8)17)23-7-14(22)10-3-4-12(20)13(21)5-10/h3-5,20-21H,7H2,1-2H3