2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5S/c1-30-20-10-6-5-9-18(20)25-22(27)16-7-3-4-8-17(16)24-23(25)32-14-15-11-12-21(31-2)19(13-15)26(28)29/h3-13H,14H2,1-2H3