5-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[(4-nitrophenyl)methylthio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[(4-nitrobenzyl)thio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H16FN3O3S2 MolecularWeight: 489.541243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])SC=C3C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])SC=C3C5=CC=C(C=C5)F

InChI

InChI=1S/C25H16FN3O3S2/c26-18-10-8-17(9-11-18)21-15-33-23-22(21)24(30)28(19-4-2-1-3-5-19)25(27-23)34-14-16-6-12-20(13-7-16)29(31)32/h1-13,15H,14H2