3-[[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 3-[[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]carbamoylamino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[[[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]amino]-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]carbamoylamino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[(3S)-1,1-diketo-3-methyl-thiolan-3-yl]carbamoylamino]-1H-1,2,4-triazole-5-carboxylate Formula: C9H12N5O5S- MolecularWeight: 302.28708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)NC2=NNC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@@]1(CCS(=O)(=O)C1)NC(=O)NC2=NNC(=N2)C(=O)[O-]

InChI

InChI=1S/C9H13N5O5S/c1-9(2-3-20(18,19)4-9)12-8(17)11-7-10-5(6(15)16)13-14-7/h2-4H2,1H3,(H,15,16)(H3,10,11,12,13,14,17)/p-1/t9-/m0/s1