5-tert-butyl-2-methyl-7-(2-methylprop-2-enylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-2-methyl-7-(2-methylprop-2-enylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-2-methyl-7-(2-methylallylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-2-methyl-7-(2-methylprop-2-enylthio)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-2-methyl-7-(2-methylprop-2-enylsulfanyl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-2-methyl-7-(2-methylallylthio)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)SCC(=C)C

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)SCC(=C)C

InChI

InChI=1S/C21H25N3S/c1-14(2)13-25-18-12-17(21(4,5)6)22-20-19(15(3)23-24(18)20)16-10-8-7-9-11-16/h7-12H,1,13H2,2-6H3