1-[2-isocyano-3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-propyl]-4-methyl-benzene

Systemtic Name: 1-[2-isocyano-3-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-propyl]-4-methyl-benzene Openeye Name: 1-[2-isocyano-3-(p-tolyl)-2-(p-tolylsulfonyl)propyl]-4-methyl-benzene CAS Name: 1-[2-isocyano-3-(4-methylphenyl)-2-(4-methylphenyl)sulfonylpropyl]-4-methylbenzene IUPAC Name: 1-[2-isocyano-3-(4-methylphenyl)-2-(4-methylphenyl)sulfonylpropyl]-4-methylbenzene Traditional Name: 1-[2-isocyano-3-(p-tolyl)-2-tosyl-propyl]-4-methyl-benzene Formula: C25H25NO2S MolecularWeight: 403.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C)([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C)([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H25NO2S/c1-19-5-11-22(12-6-19)17-25(26-4,18-23-13-7-20(2)8-14-23)29(27,28)24-15-9-21(3)10-16-24/h5-16H,17-18H2,1-3H3