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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O3S/c1-13-3-5-16(6-4-13)29-17-10-14(9-15(11-17)25(27)28)22-20(26)18-12-19-21-7-2-8-24(19)23-18/h2-12H,1H3,(H,22,26)