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

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C27H22N2O3S MolecularWeight: 454.54018

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O3S/c1-17-7-10-19(11-8-17)15-29-26(31)22-5-3-4-6-23(22)28-27(29)33-16-20-14-25(30)32-24-13-18(2)9-12-21(20)24/h3-14H,15-16H2,1-2H3