3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-2-thiolate

Systemtic Name: 3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-2-thiolate Openeye Name: 3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-2-thiolate CAS Name: 3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinethiolate IUPAC Name: 3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-2-thiolate Traditional Name: 3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-2-thiolate Formula: C21H17N2O3S- MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)[S-])C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)[S-])C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-24-18-9-14(10-19(25-2)20(18)26-3)15-11-17(13-7-5-4-6-8-13)23-21(27)16(15)12-22/h4-11H,1-3H3,(H,23,27)/p-1