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

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-chlorophenyl)methylthio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-chlorobenzyl)thio]-1-(4-nitrophenyl)-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=C(C(=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

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