7-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C24H18ClN3O5S MolecularWeight: 495.93482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H18ClN3O5S/c25-18-6-7-20-21(10-18)26-24(27(23(20)29)11-15-4-2-1-3-5-15)34-13-17-9-19(28(30)31)8-16-12-32-14-33-22(16)17/h1-10H,11-14H2