3-[(4-methylphenyl)methyl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-methylbenzyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C25H21N3O5S/c1-16-6-8-17(9-7-16)12-27-24(29)21-4-2-3-5-22(21)26-25(27)34-14-19-11-20(28(30)31)10-18-13-32-15-33-23(18)19/h2-11H,12-15H2,1H3