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

Systemtic Name: 2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 6-benzyl-7-benzylsulfanyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-(phenylmethylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 6-benzyl-7-benzylsulfanyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-benzyl-7-(benzylthio)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C28H25N3S MolecularWeight: 435.5832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3S/c1-20-25(18-22-12-6-3-7-13-22)28(32-19-23-14-8-4-9-15-23)31-27(29-20)26(21(2)30-31)24-16-10-5-11-17-24/h3-17H,18-19H2,1-2H3