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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-7-thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-7-thiophen-2-yl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C24H17N5O3S2 MolecularWeight: 487.55348

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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=C4N=CC=C(N4N=C3)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CS5

InChI

InChI=1S/C24H17N5O3S2/c1-15-4-6-18(7-5-15)34-19-12-16(11-17(13-19)29(31)32)27-24(30)20-14-26-28-21(8-9-25-23(20)28)22-3-2-10-33-22/h2-14H,1H3,(H,27,30)