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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O5S/c1-16(17-7-3-2-4-8-17)27-24(29)21-9-5-6-10-22(21)26-25(27)34-14-19-12-20(28(30)31)11-18-13-32-15-33-23(18)19/h2-12,16H,13-15H2,1H3/t16-/m1/s1