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

Systemtic Name: 3-[[4-(tert-butylamino)-6-ethylsulfanyl-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Openeye Name: 3-[[4-(tert-butylamino)-6-ethylsulfanyl-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[[4-(tert-butylamino)-6-(ethylthio)-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[[4-(tert-butylamino)-6-ethylsulfanyl-1,3,5-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-[[4-(tert-butylamino)-6-(ethylthio)-s-triazin-2-yl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one Formula: C14H21N6O2S+ MolecularWeight: 337.42054

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC(=N1)OC2C=CC(=O)[N+](=N2)C)NC(C)(C)C

Isomeric SMILES

CCSC1=NC(=NC(=N1)OC2C=CC(=O)[N+](=N2)C)NC(C)(C)C

InChI

InChI=1S/C14H21N6O2S/c1-6-23-13-16-11(18-14(2,3)4)15-12(17-13)22-9-7-8-10(21)20(5)19-9/h7-9H,6H2,1-5H3,(H,15,16,17,18)/q+1