3-methylsulfonyl-1-oxidanidyl-5-(phenylmethyl)imidazo[4,5-e][1,2,4]triazin-1-ium

Systemtic Name: 3-methylsulfonyl-1-oxidanidyl-5-(phenylmethyl)imidazo[4,5-e][1,2,4]triazin-1-ium Openeye Name: 5-benzyl-3-methylsulfonyl-1-oxido-imidazo[4,5-e][1,2,4]triazin-1-ium CAS Name: 3-methylsulfonyl-1-oxido-5-(phenylmethyl)imidazo[4,5-e][1,2,4]triazin-1-ium IUPAC Name: 5-benzyl-3-methylsulfonyl-1-oxidoimidazo[4,5-e][1,2,4]triazin-1-ium Traditional Name: 5-benzyl-3-mesyl-1-oxido-imidazo[4,5-e][1,2,4]triazin-1-ium Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=C(N=CN2CC3=CC=CC=C3)[N+](=N1)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NC2=C(N=CN2CC3=CC=CC=C3)[N+](=N1)[O-]

InChI

InChI=1S/C12H11N5O3S/c1-21(19,20)12-14-11-10(17(18)15-12)13-8-16(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3