5-[(4-methylphenyl)sulfonylmethyl]-4-oxidanidyl-6-phenyl-1,2,4-triazin-4-ium

Systemtic Name: 5-[(4-methylphenyl)sulfonylmethyl]-4-oxidanidyl-6-phenyl-1,2,4-triazin-4-ium Openeye Name: 4-oxido-6-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazin-4-ium CAS Name: 5-[(4-methylphenyl)sulfonylmethyl]-4-oxido-6-phenyl-1,2,4-triazin-4-ium IUPAC Name: 5-[(4-methylphenyl)sulfonylmethyl]-4-oxido-6-phenyl-1,2,4-triazin-4-ium Traditional Name: 4-oxido-6-phenyl-5-(tosylmethyl)-1,2,4-triazin-4-ium Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=[N+](C=NN=C2C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=[N+](C=NN=C2C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H15N3O3S/c1-13-7-9-15(10-8-13)24(22,23)11-16-17(19-18-12-20(16)21)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3