2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(3S)-1,1-dioxo-3-thiolanyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]thiocarbamoylamino]-4-nitro-phenolate Formula: C11H12N3O5S2- MolecularWeight: 330.36008

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H13N3O5S2/c15-10-2-1-8(14(16)17)5-9(10)13-11(20)12-7-3-4-21(18,19)6-7/h1-2,5,7,15H,3-4,6H2,(H2,12,13,20)/p-1/t7-/m0/s1