methyl 2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoate

Systemtic Name: methyl 2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoate Openeye Name: methyl 2-(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetic acid methyl ester Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)OC)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)OC)C)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S/c1-16-20(14-18-10-6-4-7-11-18)24(30-15-21(28)29-3)27-23(25-16)22(17(2)26-27)19-12-8-5-9-13-19/h4-13H,14-15H2,1-3H3