(E)-N-(3-acetamido-4-fluoranyl-phenyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(3-acetamido-4-fluoranyl-phenyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(3-acetamido-4-fluoro-phenyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(3-acetamido-4-fluorophenyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(3-acetamido-4-fluorophenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(3-acetamido-4-fluoro-phenyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C24H19FN4O2S MolecularWeight: 446.496663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)F

InChI

InChI=1S/C24H19FN4O2S/c1-16(30)26-21-14-18(10-11-20(21)25)27-23(31)12-9-17-15-29(19-6-3-2-4-7-19)28-24(17)22-8-5-13-32-22/h2-15H,1H3,(H,26,30)(H,27,31)/b12-9+