zinc 4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]benzene-1,2-diolate

Systemtic Name: zinc 4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]benzene-1,2-diolate Openeye Name: zinc 4-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]benzene-1,2-diolate CAS Name: zinc 4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]benzene-1,2-diolate IUPAC Name: zinc 4-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]benzene-1,2-diolate Traditional Name: zinc 4-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]benzene-1,2-diolate Formula: C16H12N2O3SZn MolecularWeight: 377.75208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC(=C(C=C2)[O-])[O-])C.[Zn+2]

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC(=C(C=C2)[O-])[O-])C.[Zn+2]

InChI

InChI=1S/C16H14N2O3S.Zn/c1-9-5-10(2)18-16(12(9)7-17)22-8-15(21)11-3-4-13(19)14(20)6-11;/h3-6,19-20H,8H2,1-2H3;/q;+2/p-2