6-(4-methylphenyl)-5-[(4-methylphenyl)sulfonylmethyl]-4-oxidanidyl-3-phenyl-1,2,4-triazin-4-ium

Systemtic Name: 6-(4-methylphenyl)-5-[(4-methylphenyl)sulfonylmethyl]-4-oxidanidyl-3-phenyl-1,2,4-triazin-4-ium Openeye Name: 4-oxido-3-phenyl-6-(p-tolyl)-5-(p-tolylsulfonylmethyl)-1,2,4-triazin-4-ium CAS Name: 6-(4-methylphenyl)-5-[(4-methylphenyl)sulfonylmethyl]-4-oxido-3-phenyl-1,2,4-triazin-4-ium IUPAC Name: 6-(4-methylphenyl)-5-[(4-methylphenyl)sulfonylmethyl]-4-oxido-3-phenyl-1,2,4-triazin-4-ium Traditional Name: 4-oxido-3-phenyl-6-(p-tolyl)-5-(tosylmethyl)-1,2,4-triazin-4-ium Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C([N+](=C(N=N2)C3=CC=CC=C3)[O-])CS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([N+](=C(N=N2)C3=CC=CC=C3)[O-])CS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H21N3O3S/c1-17-8-12-19(13-9-17)23-22(16-31(29,30)21-14-10-18(2)11-15-21)27(28)24(26-25-23)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3