5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-prop-2-enylsulfanyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-prop-2-enylsulfanyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-allylsulfanyl-5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-prop-2-enylsulfanylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(allylthio)-5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine Formula: C20H22ClN3S MolecularWeight: 371.92678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3S/c1-6-11-25-17-12-16(20(3,4)5)22-19-18(13(2)23-24(17)19)14-7-9-15(21)10-8-14/h6-10,12H,1,11H2,2-5H3