N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C20H21F3N4OS MolecularWeight: 422.46715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC(C3=CSC=C3)N(C)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC(C3=CSC=C3)N(C)C)C(F)(F)F

InChI

InChI=1S/C20H21F3N4OS/c1-13-4-6-15(7-5-13)27-18(20(21,22)23)16(10-25-27)19(28)24-11-17(26(2)3)14-8-9-29-12-14/h4-10,12,17H,11H2,1-3H3,(H,24,28)