3-acetamido-4-(4-methylphenyl)sulfanyl-benzenediazonium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-benzenediazonium; tris(fluoranyl)methanesulfonate Openeye Name: 3-acetamido-4-(p-tolylsulfanyl)benzenediazonium; trifluoromethanesulfonate CAS Name: 3-acetamido-4-[(4-methylphenyl)thio]benzenediazonium; trifluoromethanesulfonate IUPAC Name: 3-acetamido-4-(4-methylphenyl)sulfanylbenzenediazonium; trifluoromethanesulfonate Traditional Name: 3-acetamido-4-(p-tolylthio)benzenediazonium triflate Formula: C16H14F3N3O4S2 MolecularWeight: 433.42527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+]#N)NC(=O)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+]#N)NC(=O)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H13N3OS.CHF3O3S/c1-10-3-6-13(7-4-10)20-15-8-5-12(18-16)9-14(15)17-11(2)19;2-1(3,4)8(5,6)7/h3-9H,1-2H3;(H,5,6,7)