3-[4-[5-(4-bromophenyl)furan-2-yl]carbothioylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[5-(4-bromophenyl)furan-2-yl]carbothioylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[5-(4-bromophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[[5-(4-bromophenyl)-2-furanyl]-sulfanylidenemethyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[5-(4-bromophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[5-(4-bromophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propionitrile Formula: C18H19BrN3OS+ MolecularWeight: 405.33196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c19-15-4-2-14(3-5-15)16-6-7-17(23-16)18(24)22-12-10-21(11-13-22)9-1-8-20/h2-7H,1,9-13H2/p+1