2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-mesylpiperazino)ethanone Formula: C9H16N6O3S2 MolecularWeight: 320.39174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C9H16N6O3S2/c1-20(17,18)15-4-2-14(3-5-15)7(16)6-19-9-11-8(10)12-13-9/h2-6H2,1H3,(H3,10,11,12,13)