5,6-dimethyl-4-[[2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-3-yl]sulfonyl]-2,1,3-benzothiadiazole

Systemtic Name: 5,6-dimethyl-4-[[2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-3-yl]sulfonyl]-2,1,3-benzothiadiazole Openeye Name: 4-[(2-benzyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)sulfonyl]-5,6-dimethyl-2,1,3-benzothiadiazole CAS Name: 5,6-dimethyl-4-[[2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-3-yl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[(2-benzyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)sulfonyl]-5,6-dimethyl-2,1,3-benzothiadiazole Traditional Name: 4-[(2-benzyl-2-imidazolin-1-ium-1-yl)sulfonyl]-5,6-dimethyl-piazthiole Formula: C18H19N4O2S2+ MolecularWeight: 387.49906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NSN=C2C(=C1C)S(=O)(=O)[N+]3=C(NCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NSN=C2C(=C1C)S(=O)(=O)[N+]3=C(NCC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H18N4O2S2/c1-12-10-15-17(21-25-20-15)18(13(12)2)26(23,24)22-9-8-19-16(22)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3/p+1