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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H13N3O3S2 MolecularWeight: 395.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O3S2/c23-17-16-15(13-4-2-1-3-5-13)11-26-18(16)21-19(20-17)27-10-12-6-8-14(9-7-12)22(24)25/h1-9,11H,10H2,(H,20,21,23)