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

Systemtic Name: 5-tert-butyl-2-methyl-3-phenyl-7-prop-2-enylsulfanyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-allylsulfanyl-5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-2-methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-2-methyl-3-phenyl-7-prop-2-enylsulfanylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(allylthio)-5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3S/c1-6-12-24-17-13-16(20(3,4)5)21-19-18(14(2)22-23(17)19)15-10-8-7-9-11-15/h6-11,13H,1,12H2,2-5H3