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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(4-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 3-(4-isopropylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(4-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(4-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-p-cumenyl-quinazolin-4-one Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C26H23N3O5S/c1-16(2)17-7-9-20(10-8-17)28-25(30)22-5-3-4-6-23(22)27-26(28)35-14-19-12-21(29(31)32)11-18-13-33-15-34-24(18)19/h3-12,16H,13-15H2,1-2H3