N-[2-(4-chlorophenyl)sulfanylphenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H17ClN4OS/c1-13-11-14(2)26-20(24-13)17(12-23-26)21(27)25-18-5-3-4-6-19(18)28-16-9-7-15(22)8-10-16/h3-12H,1-2H3,(H,25,27)