1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-(1,3,4-thiadiazol-2-ylthio)ethanone IUPAC Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(1,3,4-thiadiazol-2-ylthio)ethanone Formula: C17H21N4OS2+ MolecularWeight: 361.50484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CSC3=NN=CS3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CSC3=NN=CS3

InChI

InChI=1S/C17H20N4OS2/c22-16(13-23-17-19-18-14-24-17)21-11-9-20(10-12-21)8-4-7-15-5-2-1-3-6-15/h1-7,14H,8-13H2/p+1/b7-4+