2-[(4-nitrophenyl)methyl]-5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-nitrophenyl)methyl]-5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-nitrophenyl)methyl]-5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-nitrophenyl)methyl]-5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-nitrophenyl)methyl]-5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(4-nitrobenzyl)-5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H17N3O3S MolecularWeight: 439.48578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC4=C3C(=O)NC(=N4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC4=C3C(=O)NC(=N4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O3S/c29-24-23-21(19-10-8-18(9-11-19)17-4-2-1-3-5-17)15-32-25(23)27-22(26-24)14-16-6-12-20(13-7-16)28(30)31/h1-13,15H,14H2,(H,26,27,29)