N-hexadecyl-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

Systemtic Name: N-hexadecyl-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-hexadecyl-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-hexadecyl-4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-hexadecyl-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-cetyl-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide Formula: C31H42F3N3OS MolecularWeight: 561.74489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C31H42F3N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-35-30(38)25-18-20-26(21-19-25)37-27(28-17-16-23-39-28)24-29(36-37)31(32,33)34/h16-21,23-24H,2-15,22H2,1H3,(H,35,38)