3,5-dicyano-6-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-pyridin-2-olate

Systemtic Name: 3,5-dicyano-6-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-pyridin-2-olate Openeye Name: 3,5-dicyano-6-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-pyridin-2-olate CAS Name: 3,5-dicyano-6-[(3-nitrophenyl)methylthio]-4-phenyl-2-pyridinolate IUPAC Name: 3,5-dicyano-6-[(3-nitrophenyl)methylsulfanyl]-4-phenylpyridin-2-olate Traditional Name: 3,5-dicyano-6-[(3-nitrobenzyl)thio]-4-phenyl-pyridin-2-olate Formula: C20H11N4O3S- MolecularWeight: 387.39134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC(=CC=C3)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC(=CC=C3)[N+](=O)[O-])[O-])C#N

InChI

InChI=1S/C20H12N4O3S/c21-10-16-18(14-6-2-1-3-7-14)17(11-22)20(23-19(16)25)28-12-13-5-4-8-15(9-13)24(26)27/h1-9H,12H2,(H,23,25)/p-1