4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3-fluorophenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3-fluorophenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[[(3-fluorophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid Traditional Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3-fluorobenzoyl)amino]-3-thenoic acid Formula: C23H18FN3O3S MolecularWeight: 435.470723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=CSC(=C3C(=O)O)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=CSC(=C3C(=O)O)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H18FN3O3S/c1-13-19(14(2)27(26-13)17-9-4-3-5-10-17)18-12-31-22(20(18)23(29)30)25-21(28)15-7-6-8-16(24)11-15/h3-12H,1-2H3,(H,25,28)(H,29,30)