2,5-dimethyl-7-(2-methylprop-2-enylsulfanyl)-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2,5-dimethyl-7-(2-methylprop-2-enylsulfanyl)-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 6-benzyl-2,5-dimethyl-7-(2-methylallylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-7-(2-methylprop-2-enylthio)-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 6-benzyl-2,5-dimethyl-7-(2-methylprop-2-enylsulfanyl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-benzyl-2,5-dimethyl-7-(2-methylallylthio)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3S/c1-17(2)16-29-25-22(15-20-11-7-5-8-12-20)18(3)26-24-23(19(4)27-28(24)25)21-13-9-6-10-14-21/h5-14H,1,15-16H2,2-4H3