3-(3,4-dimethoxyphenyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[(2-methoxy-5-nitro-benzyl)thio]quinazolin-4-one Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H21N3O6S/c1-31-20-10-9-17(27(29)30)12-15(20)14-34-24-25-19-7-5-4-6-18(19)23(28)26(24)16-8-11-21(32-2)22(13-16)33-3/h4-13H,14H2,1-3H3