3-[[6-(tert-butylamino)-4-sulfanylidene-1H-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-[[6-(tert-butylamino)-4-sulfanylidene-1H-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Openeye Name: 3-[[6-(tert-butylamino)-4-thioxo-1H-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[[6-(tert-butylamino)-4-sulfanylidene-1H-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[[6-(tert-butylamino)-4-sulfanylidene-1H-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-[[6-(tert-butylamino)-4-thioxo-1H-s-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Formula: C12H17N6O2S+ MolecularWeight: 309.36738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=S)N=C(N1)OC2C=CC(=O)[N+](=N2)C

Isomeric SMILES

CC(C)(C)NC1=NC(=S)N=C(N1)OC2C=CC(=O)[N+](=N2)C

InChI

InChI=1S/C12H16N6O2S/c1-12(2,3)16-9-13-10(15-11(21)14-9)20-7-5-6-8(19)18(4)17-7/h5-7H,1-4H3,(H-,13,14,15,16,21)/p+1