4-oxidanidyl-6-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazin-4-ium

Systemtic Name: 4-oxidanidyl-6-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazin-4-ium Openeye Name: 5-(benzenesulfonylmethyl)-4-oxido-6-phenyl-1,2,4-triazin-4-ium CAS Name: 5-(benzenesulfonylmethyl)-4-oxido-6-phenyl-1,2,4-triazin-4-ium IUPAC Name: 5-(benzenesulfonylmethyl)-4-oxido-6-phenyl-1,2,4-triazin-4-ium Traditional Name: 5-(besylmethyl)-4-oxido-6-phenyl-1,2,4-triazin-4-ium Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C[N+](=C2CS(=O)(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C[N+](=C2CS(=O)(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H13N3O3S/c20-19-12-17-18-16(13-7-3-1-4-8-13)15(19)11-23(21,22)14-9-5-2-6-10-14/h1-10,12H,11H2