3-(3-nitrophenyl)-4-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-(3-nitrophenyl)-4-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-benzylsulfanyl-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-(3-nitrophenyl)-4-(phenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-3-(3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(benzylthio)-3-(3-nitrophenyl)-2H-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)CSC2=NC=NC3=NNC(=C32)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=NNC(=C32)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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