2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(3-ketobenzo[f]chromen-1-yl)methylthio]quinazolin-4-olate Formula: C22H13N2O3S- MolecularWeight: 385.41522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NC5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NC5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C22H14N2O3S/c25-19-11-14(20-15-6-2-1-5-13(15)9-10-18(20)27-19)12-28-22-23-17-8-4-3-7-16(17)21(26)24-22/h1-11H,12H2,(H,23,24,26)/p-1