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

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-3-phenyl-quinazolin-4-one Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O3S/c1-16-12-21-18(14-24(29)31-23(21)13-17(16)2)15-32-26-27-22-11-7-6-10-20(22)25(30)28(26)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3