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

Systemtic Name: 7-(4-methylphenyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-7-(p-tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 7-(4-methylphenyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-(4-methylphenyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-7-(p-tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=NC3=C(C=NN23)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=NC3=C(C=NN23)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O3S/c1-17-3-7-19(8-4-17)25-11-12-28-26-24(16-29-31(25)26)27(33)30-20-13-21(32(34)35)15-23(14-20)36-22-9-5-18(2)6-10-22/h3-16H,1-2H3,(H,30,33)