2-[4-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[5-(2-furyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-(2-furanyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[5-(2-furyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C18H18N5O4S2+ MolecularWeight: 432.49662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C18H17N5O4S2/c19-12-14-4-1-2-6-16(14)29(24,25)22-9-7-21(8-10-22)13-23-18(28)27-17(20-23)15-5-3-11-26-15/h1-6,11H,7-10,13H2/p+1