3-phenyl-2-[(2,3,4-trimethoxy-6-nitro-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-phenyl-2-[(2,3,4-trimethoxy-6-nitro-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-phenyl-2-[(2,3,4-trimethoxy-6-nitro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-phenyl-2-[(2,3,4-trimethoxy-6-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-phenyl-2-[(2,3,4-trimethoxy-6-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-phenyl-2-[(2,3,4-trimethoxy-6-nitro-benzyl)thio]quinazolin-4-one Formula: C24H21N3O6S MolecularWeight: 479.50504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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