propan-2-yl 3-(4-phenylsulfanylphenyl)-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 3-(4-phenylsulfanylphenyl)-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-isopropyl-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-[4-(phenylthio)phenyl]-5-propan-2-yl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-phenylsulfanylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-isopropyl-3-[4-(phenylthio)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid isopropyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C=C1C(=O)OC(C)C)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C=C1C(=O)OC(C)C)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-16(2)23-22(25(29)30-17(3)4)15-28-24(27-23)21(14-26-28)18-10-12-20(13-11-18)31-19-8-6-5-7-9-19/h5-17H,1-4H3