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

Systemtic Name: 3-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(3-methyl-1,1-dioxo-thiolan-3-yl)carbamothioylamino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[[[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(3-methyl-1,1-dioxothiolan-3-yl)carbamothioylamino]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(1,1-diketo-3-methyl-thiolan-3-yl)thiocarbamoylamino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C9H13N5O4S2 MolecularWeight: 319.36062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=S)NC2=NNC(=N2)C(=O)O

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=S)NC2=NNC(=N2)C(=O)O

InChI

InChI=1S/C9H13N5O4S2/c1-9(2-3-20(17,18)4-9)12-8(19)11-7-10-5(6(15)16)13-14-7/h2-4H2,1H3,(H,15,16)(H3,10,11,12,13,14,19)