4-[2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]quinazolin-3-yl]benzonitrile Formula: C27H19N3O3S MolecularWeight: 465.52306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C27H19N3O3S/c1-16-11-22-19(13-25(31)33-24(22)12-17(16)2)15-34-27-29-23-6-4-3-5-21(23)26(32)30(27)20-9-7-18(14-28)8-10-20/h3-13H,15H2,1-2H3