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

Systemtic Name: 4-[1-(3-nitrophenyl)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[1-(3-nitrophenyl)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[1-(3-nitrophenyl)ethylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[1-(3-nitrophenyl)ethylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[1-(3-nitrophenyl)ethylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O2S/c1-13(14-6-5-9-16(10-14)24(25)26)27-19-17-11-22-23(18(17)20-12-21-19)15-7-3-2-4-8-15/h2-13H,1H3