7-(4-bromanyl-1-ethyl-pyrazol-3-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 7-(4-bromanyl-1-ethyl-pyrazol-3-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 7-(4-bromo-1-ethyl-pyrazol-3-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 7-(4-bromo-1-ethyl-3-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 7-(4-bromo-1-ethyl-pyrazol-3-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C25H20BrN7O3S MolecularWeight: 578.4404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C2=CC=NC3=CC(=NN23)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)C)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C2=CC=NC3=CC(=NN23)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)C)[N+](=O)[O-])Br

InChI

InChI=1S/C25H20BrN7O3S/c1-3-31-14-20(26)24(30-31)22-8-9-27-23-13-21(29-32(22)23)25(34)28-16-10-17(33(35)36)12-19(11-16)37-18-6-4-15(2)5-7-18/h4-14H,3H2,1-2H3,(H,28,34)