5-tert-butyl-2-methyl-7-[(4-methylphenyl)methylsulfanyl]-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-2-methyl-7-[(4-methylphenyl)methylsulfanyl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-2-methyl-3-phenyl-7-(p-tolylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-2-methyl-7-[(4-methylphenyl)methylthio]-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-2-methyl-7-[(4-methylphenyl)methylsulfanyl]-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-2-methyl-7-[(4-methylbenzyl)thio]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C25H27N3S MolecularWeight: 401.56698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C25H27N3S/c1-17-11-13-19(14-12-17)16-29-22-15-21(25(3,4)5)26-24-23(18(2)27-28(22)24)20-9-7-6-8-10-20/h6-15H,16H2,1-5H3