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

Systemtic Name: 5,7-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 5,7-dimethyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5,7-dimethyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 5,7-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 5,7-dimethyl-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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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=C(C=C(N4N=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O3S/c1-13-4-6-18(7-5-13)31-19-10-16(9-17(11-19)27(29)30)25-22(28)20-12-23-26-15(3)8-14(2)24-21(20)26/h4-12H,1-3H3,(H,25,28)