5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide

Systemtic Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide Openeye Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide CAS Name: 5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[2-(phenylthio)phenyl]-2-furancarboxamide IUPAC Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide Traditional Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(phenylthio)phenyl]-2-furamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S/c1-16-14-17(2)26(25-16)15-18-12-13-21(28-18)23(27)24-20-10-6-7-11-22(20)29-19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,24,27)