4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-pyridine-3-carbonitrile Openeye Name: 4-methyl-2,6-bis(p-tolylsulfonyl)pyridine-3-carbonitrile CAS Name: 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2,6-bis-(4-methylphenyl)sulfonylpyridine-3-carbonitrile Traditional Name: 4-methyl-2,6-ditosyl-nicotinonitrile Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=C(C(=C2)C)C#N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=C(C(=C2)C)C#N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H18N2O4S2/c1-14-4-8-17(9-5-14)28(24,25)20-12-16(3)19(13-22)21(23-20)29(26,27)18-10-6-15(2)7-11-18/h4-12H,1-3H3