N-[3-(4-bromophenyl)sulfanyl-5-nitro-phenyl]-7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: N-[3-(4-bromophenyl)sulfanyl-5-nitro-phenyl]-7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-[3-(4-bromophenyl)sulfanyl-5-nitro-phenyl]-7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-[3-[(4-bromophenyl)thio]-5-nitrophenyl]-7-methyl-5-phenyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(4-bromophenyl)sulfanyl-5-nitrophenyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-[3-[(4-bromophenyl)thio]-5-nitro-phenyl]-7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C26H18BrN5O3S MolecularWeight: 560.42182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H18BrN5O3S/c1-16-11-23(17-5-3-2-4-6-17)29-25-15-24(30-31(16)25)26(33)28-19-12-20(32(34)35)14-22(13-19)36-21-9-7-18(27)8-10-21/h2-15H,1H3,(H,28,33)