1-tert-butylsulfanyl-2-[isocyano-(4-methylphenyl)sulfonyl-methyl]benzene

Systemtic Name: 1-tert-butylsulfanyl-2-[isocyano-(4-methylphenyl)sulfonyl-methyl]benzene Openeye Name: 1-tert-butylsulfanyl-2-[isocyano(p-tolylsulfonyl)methyl]benzene CAS Name: 1-(tert-butylthio)-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene IUPAC Name: 1-tert-butylsulfanyl-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene Traditional Name: 1-(tert-butylthio)-2-[isocyano(tosyl)methyl]benzene Formula: C19H21NO2S2 MolecularWeight: 359.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2SC(C)(C)C)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2SC(C)(C)C)[N+]#[C-]

InChI

InChI=1S/C19H21NO2S2/c1-14-10-12-15(13-11-14)24(21,22)18(20-5)16-8-6-7-9-17(16)23-19(2,3)4/h6-13,18H,1-4H3