N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C17H13BrN4OS MolecularWeight: 401.28032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N)Br

InChI

InChI=1S/C17H13BrN4OS/c18-13-5-1-2-6-14(13)20-17(23)12-11-22(9-4-8-19)21-16(12)15-7-3-10-24-15/h1-3,5-7,10-11H,4,9H2,(H,20,23)