3-[4-[(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5Z)-5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5Z)-5-[[5-(3,4-dichlorophenyl)-2-furanyl]methylidene]-4-oxo-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5Z)-5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C21H19Cl2N4O2S+ MolecularWeight: 462.37216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)S2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)/S2

InChI

InChI=1S/C21H18Cl2N4O2S/c22-16-4-2-14(12-17(16)23)18-5-3-15(29-18)13-19-20(28)25-21(30-19)27-10-8-26(9-11-27)7-1-6-24/h2-5,12-13H,1,7-11H2/p+1/b19-13-