2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-thiophen-2-yl-ethanone Openeye Name: 2-(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-(2-thienyl)ethanone CAS Name: 2-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-thiophen-2-ylethanone Traditional Name: 2-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-1-(2-thienyl)ethanone Formula: C27H23N3OS2 MolecularWeight: 469.62102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)C4=CC=CS4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)C4=CC=CS4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3OS2/c1-18-22(16-20-10-5-3-6-11-20)27(33-17-23(31)24-14-9-15-32-24)30-26(28-18)25(19(2)29-30)21-12-7-4-8-13-21/h3-15H,16-17H2,1-2H3