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

Systemtic Name: 3-bromanyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C20H14BrN5O3S MolecularWeight: 484.32586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN4C=CC=NC4=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN4C=CC=NC4=C3Br

InChI

InChI=1S/C20H14BrN5O3S/c1-12-3-5-15(6-4-12)30-16-10-13(9-14(11-16)26(28)29)23-20(27)18-17(21)19-22-7-2-8-25(19)24-18/h2-11H,1H3,(H,23,27)