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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzothiophene-2-carboxamide Formula: C20H16FN3O2S MolecularWeight: 381.423343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C20H16FN3O2S/c1-12-18(20(26)24(23(12)2)13-7-4-3-5-8-13)22-19(25)17-11-14-15(21)9-6-10-16(14)27-17/h3-11H,1-2H3,(H,22,25)