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

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-3-phenyl-quinazolin-4-one Formula: C28H24N2O3S MolecularWeight: 468.56676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C28H24N2O3S/c1-17(2)22-15-23-19(14-26(31)33-25(23)13-18(22)3)16-34-28-29-24-12-8-7-11-21(24)27(32)30(28)20-9-5-4-6-10-20/h4-15,17H,16H2,1-3H3