N-tert-butyl-7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: N-tert-butyl-7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: N-tert-butyl-7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: N-tert-butyl-7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: N-tert-butyl-7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-tert-butyl-7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-23(2,3)26-21(28)19-13-24-20-18(14-25-27(20)22(19)29)15-9-11-17(12-10-15)30-16-7-5-4-6-8-16/h4-14,25H,1-3H3,(H,26,28)