N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-fluoranyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-fluoro-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C27H22FN3O3S MolecularWeight: 487.545283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

InChI

InChI=1S/C27H22FN3O3S/c1-17-24(27(33)31(30(17)2)18-10-5-3-6-11-18)29-26(32)25-20(16-34-19-12-7-4-8-13-19)23-21(28)14-9-15-22(23)35-25/h3-15H,16H2,1-2H3,(H,29,32)