1-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C10H18N5OS+ MolecularWeight: 256.34782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CN2C(=S)N(C=N2)C

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CN2C(=S)N(C=N2)C

InChI

InChI=1S/C10H17N5OS/c1-9(16)14-5-3-13(4-6-14)8-15-10(17)12(2)7-11-15/h7H,3-6,8H2,1-2H3/p+1