5-cyano-6-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(4-phenyl-1,3-thiazol-2-yl)pyridin-2-olate

Systemtic Name: 5-cyano-6-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(4-phenyl-1,3-thiazol-2-yl)pyridin-2-olate Openeye Name: 5-cyano-6-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(4-phenylthiazol-2-yl)pyridin-2-olate CAS Name: 5-cyano-6-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(4-phenyl-2-thiazolyl)-2-pyridinolate IUPAC Name: 5-cyano-6-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(4-phenyl-1,3-thiazol-2-yl)pyridin-2-olate Traditional Name: 5-cyano-6-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-3-(4-phenylthiazol-2-yl)pyridin-2-olate Formula: C25H16N5O2S2- MolecularWeight: 482.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC(=C(C=C3C#N)C4=NC(=CS4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC(=C(C=C3C#N)C4=NC(=CS4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C25H17N5O2S2/c1-14-6-5-9-17-21(14)28-20(29-22(17)31)13-34-24-16(11-26)10-18(23(32)30-24)25-27-19(12-33-25)15-7-3-2-4-8-15/h2-10,12H,13H2,1H3,(H,30,32)(H,28,29,31)/p-1