N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]benzothiophene-2-carboxamide CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-N-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-chloro-4-fluoro-benzyl)-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]benzothiophene-2-carboxamide Formula: C28H23ClFN3O2S MolecularWeight: 520.017523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CC3=C(C=C(C=C3)F)Cl)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CC3=C(C=C(C=C3)F)Cl)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H23ClFN3O2S/c1-18-23(27(34)33(31(18)2)22-9-4-3-5-10-22)17-32(16-20-12-13-21(30)15-24(20)29)28(35)26-14-19-8-6-7-11-25(19)36-26/h3-15H,16-17H2,1-2H3