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

Systemtic Name: 3-[4-[5-(3,4-dichlorophenyl)furan-2-yl]carbothioylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[5-(3,4-dichlorophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[[5-(3,4-dichlorophenyl)-2-furanyl]-sulfanylidenemethyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[5-(3,4-dichlorophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[5-(3,4-dichlorophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propionitrile Formula: C18H18Cl2N3OS+ MolecularWeight: 395.32602

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3OS/c19-14-3-2-13(12-15(14)20)16-4-5-17(24-16)18(25)23-10-8-22(9-11-23)7-1-6-21/h2-5,12H,1,7-11H2/p+1