N-(2-fluoranyl-5-methyl-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(2-fluoranyl-5-methyl-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(2-fluoro-5-methyl-phenyl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(2-fluoro-5-methylphenyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(2-fluoro-5-methyl-phenyl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H18FN3OS/c1-15-9-10-18(23)19(12-15)24-22(27)17-14-26(13-16-6-3-2-4-7-16)25-21(17)20-8-5-11-28-20/h2-12,14H,13H2,1H3,(H,24,27)