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

Systemtic Name: 5-[(4-methylphenyl)sulfonylmethyl]-3-(4-nitrophenyl)-4-oxidanidyl-6-phenyl-1,2,4-triazin-4-ium Openeye Name: 3-(4-nitrophenyl)-4-oxido-6-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazin-4-ium CAS Name: 5-[(4-methylphenyl)sulfonylmethyl]-3-(4-nitrophenyl)-4-oxido-6-phenyl-1,2,4-triazin-4-ium IUPAC Name: 5-[(4-methylphenyl)sulfonylmethyl]-3-(4-nitrophenyl)-4-oxido-6-phenyl-1,2,4-triazin-4-ium Traditional Name: 3-(4-nitrophenyl)-4-oxido-6-phenyl-5-(tosylmethyl)-1,2,4-triazin-4-ium Formula: C23H18N4O5S MolecularWeight: 462.47782

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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=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O5S/c1-16-7-13-20(14-8-16)33(31,32)15-21-22(17-5-3-2-4-6-17)24-25-23(26(21)28)18-9-11-19(12-10-18)27(29)30/h2-14H,15H2,1H3