2-[(3-nitrophenyl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C27H19N3O4S MolecularWeight: 481.52246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O4S/c31-26-24-11-4-5-12-25(24)28-27(35-18-19-7-6-8-21(17-19)30(32)33)29(26)20-13-15-23(16-14-20)34-22-9-2-1-3-10-22/h1-17H,18H2