1-[isocyano-[4-(trifluoromethyl)phenyl]methyl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[isocyano-[4-(trifluoromethyl)phenyl]methyl]sulfonyl-4-methyl-benzene Openeye Name: 1-[isocyano-[4-(trifluoromethyl)phenyl]methyl]sulfonyl-4-methyl-benzene CAS Name: 1-[isocyano-[4-(trifluoromethyl)phenyl]methyl]sulfonyl-4-methylbenzene IUPAC Name: 1-[isocyano-[4-(trifluoromethyl)phenyl]methyl]sulfonyl-4-methylbenzene Traditional Name: 1-[isocyano-[4-(trifluoromethyl)phenyl]methyl]sulfonyl-4-methyl-benzene Formula: C16H12F3NO2S MolecularWeight: 339.33219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3NO2S/c1-11-3-9-14(10-4-11)23(21,22)15(20-2)12-5-7-13(8-6-12)16(17,18)19/h3-10,15H,1H3