4-[3,4-bis(oxidanyl)phenyl]-5-ethanoyl-6-methyl-2-methylsulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 4-[3,4-bis(oxidanyl)phenyl]-5-ethanoyl-6-methyl-2-methylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(3,4-dihydroxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(3,4-dihydroxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(3,4-dihydroxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(3,4-dihydroxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyridine-3-carbonitrile Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC(=C(C=C2)O)O)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CC(=C(C=C2)O)O)C(=O)C

InChI

InChI=1S/C16H16N2O3S/c1-8-14(9(2)19)15(11(7-17)16(18-8)22-3)10-4-5-12(20)13(21)6-10/h4-6,15,18,20-21H,1-3H3