N-[2-(5-bromanyl-1-benzothiophen-3-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(5-bromanyl-1-benzothiophen-3-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[2-(5-bromobenzothiophen-3-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-1-methyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[2-(5-bromobenzothiophen-3-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C16H13BrF3N3OS MolecularWeight: 432.25813

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)NCCC2=CSC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)NCCC2=CSC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C16H13BrF3N3OS/c1-23-14(16(18,19)20)12(7-22-23)15(24)21-5-4-9-8-25-13-3-2-10(17)6-11(9)13/h2-3,6-8H,4-5H2,1H3,(H,21,24)