4,6-dimethyl-2-(4-methylphenyl)sulfonyl-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(4-methylphenyl)sulfonyl-5-nitro-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-5-nitro-2-(p-tolylsulfonyl)pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-(4-methylphenyl)sulfonyl-5-nitro-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-(4-methylphenyl)sulfonyl-5-nitropyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-tosyl-nicotinonitrile Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=C(C(=C2C#N)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=C(C(=C2C#N)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O4S/c1-9-4-6-12(7-5-9)23(21,22)15-13(8-16)10(2)14(18(19)20)11(3)17-15/h4-7H,1-3H3