2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C24H18N4O2S/c29-22-17-10-4-6-12-19(17)25-21(27-22)15-31-24-26-20-13-7-5-11-18(20)23(30)28(24)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,27,29)