3-(3,5-dimethylphenyl)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC)C

InChI

InChI=1S/C27H22N2O4S/c1-16-10-17(2)12-19(11-16)29-26(31)22-6-4-5-7-23(22)28-27(29)34-15-18-13-25(30)33-24-14-20(32-3)8-9-21(18)24/h4-14H,15H2,1-3H3