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

Systemtic Name: 5-[(4-methylphenyl)sulfonylmethyl]-4-oxidanidyl-3,6-diphenyl-1,2,4-triazin-4-ium Openeye Name: 4-oxido-3,6-diphenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazin-4-ium CAS Name: 5-[(4-methylphenyl)sulfonylmethyl]-4-oxido-3,6-diphenyl-1,2,4-triazin-4-ium IUPAC Name: 5-[(4-methylphenyl)sulfonylmethyl]-4-oxido-3,6-diphenyl-1,2,4-triazin-4-ium Traditional Name: 4-oxido-3,6-diphenyl-5-(tosylmethyl)-1,2,4-triazin-4-ium Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N=NC(=[N+]2[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N=NC(=[N+]2[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c1-17-12-14-20(15-13-17)30(28,29)16-21-22(18-8-4-2-5-9-18)24-25-23(26(21)27)19-10-6-3-7-11-19/h2-15H,16H2,1H3