3-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(1,1-diketothiolan-3-yl)carbamoylamino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C8H11N5O5S MolecularWeight: 289.26844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)NC2=NNC(=N2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)NC2=NNC(=N2)C(=O)O

InChI

InChI=1S/C8H11N5O5S/c14-6(15)5-10-7(13-12-5)11-8(16)9-4-1-2-19(17,18)3-4/h4H,1-3H2,(H,14,15)(H3,9,10,11,12,13,16)