5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[2-(phenylthio)phenyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(phenylthio)phenyl]-2-furamide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-15-22(24)16(2)27(26-15)14-17-12-13-20(29-17)23(28)25-19-10-6-7-11-21(19)30-18-8-4-3-5-9-18/h3-13H,14H2,1-2H3,(H,25,28)