7-[(2S)-butan-2-yl]sulfanyl-5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-[(2S)-butan-2-yl]sulfanyl-5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-2-methyl-7-[(1S)-1-methylpropyl]sulfanyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[[(2S)-butan-2-yl]thio]-5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[(2S)-butan-2-yl]sulfanyl-5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-2-methyl-7-[[(1S)-1-methylpropyl]thio]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC[C@H](C)SC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C21H27N3S/c1-7-14(2)25-18-13-17(21(4,5)6)22-20-19(15(3)23-24(18)20)16-11-9-8-10-12-16/h8-14H,7H2,1-6H3/t14-/m0/s1