1-[isocyano-(4-methylphenyl)sulfanyl-methyl]-4-(trifluoromethyl)benzene

Systemtic Name: 1-[isocyano-(4-methylphenyl)sulfanyl-methyl]-4-(trifluoromethyl)benzene Openeye Name: 1-[isocyano(p-tolylsulfanyl)methyl]-4-(trifluoromethyl)benzene CAS Name: 1-[isocyano-[(4-methylphenyl)thio]methyl]-4-(trifluoromethyl)benzene IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfanylmethyl]-4-(trifluoromethyl)benzene Traditional Name: 1-[isocyano-(p-tolylthio)methyl]-4-(trifluoromethyl)benzene Formula: C16H12F3NS MolecularWeight: 307.33339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3NS/c1-11-3-9-14(10-4-11)21-15(20-2)12-5-7-13(8-6-12)16(17,18)19/h3-10,15H,1H3