2-[4-(5-bromanylthiophen-3-yl)carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(5-bromanylthiophen-3-yl)carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(5-bromo-3-thiophenyl)-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(5-bromothiophene-3-carbonyl)piperazino]-6-fluoro-benzonitrile Formula: C16H13BrFN3OS MolecularWeight: 394.261323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CSC(=C3)Br

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CSC(=C3)Br

InChI

InChI=1S/C16H13BrFN3OS/c17-15-8-11(10-23-15)16(22)21-6-4-20(5-7-21)14-3-1-2-13(18)12(14)9-19/h1-3,8,10H,4-7H2