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

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(2-methylprop-2-enylsulfanyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(2-methylallylsulfanyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(2-methylprop-2-enylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(2-methylprop-2-enylsulfanyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-(2-methylallylthio)pyrazolo[1,5-a]pyrimidine Formula: C21H24ClN3S MolecularWeight: 385.95336

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3S/c1-13(2)12-26-18-11-17(21(4,5)6)23-20-19(14(3)24-25(18)20)15-7-9-16(22)10-8-15/h7-11H,1,12H2,2-6H3