1-(4-bromophenyl)-3-ethanoyl-5-thiophen-2-yl-pyrazole-4-carbonitrile

Systemtic Name: 1-(4-bromophenyl)-3-ethanoyl-5-thiophen-2-yl-pyrazole-4-carbonitrile Openeye Name: 3-acetyl-1-(4-bromophenyl)-5-(2-thienyl)pyrazole-4-carbonitrile CAS Name: 3-acetyl-1-(4-bromophenyl)-5-thiophen-2-yl-4-pyrazolecarbonitrile IUPAC Name: 3-acetyl-1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-4-carbonitrile Traditional Name: 3-acetyl-1-(4-bromophenyl)-5-(2-thienyl)pyrazole-4-carbonitrile Formula: C16H10BrN3OS MolecularWeight: 372.2391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=C1C#N)C2=CC=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)C1=NN(C(=C1C#N)C2=CC=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H10BrN3OS/c1-10(21)15-13(9-18)16(14-3-2-8-22-14)20(19-15)12-6-4-11(17)5-7-12/h2-8H,1H3