1-(4-chlorophenyl)-6-[(4-nitrophenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(4-chlorophenyl)-6-[(4-nitrophenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-chlorophenyl)-6-[(4-nitrophenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-chlorophenyl)-6-[(4-nitrophenyl)methylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-chlorophenyl)-6-[(4-nitrophenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(4-chlorophenyl)-6-[(4-nitrobenzyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12ClN5O3S MolecularWeight: 413.83758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN5O3S/c19-12-3-7-13(8-4-12)23-16-15(9-20-23)17(25)22-18(21-16)28-10-11-1-5-14(6-2-11)24(26)27/h1-9,20H,10H2