2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C27H22N2O4S/c1-17-7-9-18(10-8-17)15-29-26(31)22-5-3-4-6-23(22)28-27(29)34-16-19-13-25(30)33-24-14-20(32-2)11-12-21(19)24/h3-14H,15-16H2,1-2H3