1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C21H24N5OS2+ MolecularWeight: 426.57816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H23N5OS2/c27-19(16-26-20(22-23-21(26)28)18-9-5-15-29-18)25-13-11-24(12-14-25)10-4-8-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2,(H,23,28)/p+1/b8-4+