4-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(3-nitrophenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(3-nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(3-nitrobenzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O2S/c24-23(25)15-8-4-5-13(9-15)11-26-18-16-10-21-22(17(16)19-12-20-18)14-6-2-1-3-7-14/h1-10,12H,11H2