7-chloranyl-3-[(4-methylphenyl)methylsulfonyl]-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 7-chloranyl-3-[(4-methylphenyl)methylsulfonyl]-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 7-chloro-1-oxido-3-(p-tolylmethylsulfonyl)-1,2,4-benzotriazin-1-ium CAS Name: 7-chloro-3-[(4-methylphenyl)methylsulfonyl]-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 7-chloro-3-[(4-methylphenyl)methylsulfonyl]-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 7-chloro-3-(4-methylbenzyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(C=C(C=C3)Cl)[N+](=N2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(C=C(C=C3)Cl)[N+](=N2)[O-]

InChI

InChI=1S/C15H12ClN3O3S/c1-10-2-4-11(5-3-10)9-23(21,22)15-17-13-7-6-12(16)8-14(13)19(20)18-15/h2-8H,9H2,1H3