4-[2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-3-yl]benzonitrile Formula: C26H17N3O3S MolecularWeight: 451.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H17N3O3S/c1-16-6-11-20-18(13-24(30)32-23(20)12-16)15-33-26-28-22-5-3-2-4-21(22)25(31)29(26)19-9-7-17(14-27)8-10-19/h2-13H,15H2,1H3