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

Systemtic Name: 4,6-dimethyl-5-nitro-2-(phenylsulfonyl)pyridine-3-carbonitrile Openeye Name: 2-(benzenesulfonyl)-4,6-dimethyl-5-nitro-pyridine-3-carbonitrile CAS Name: 2-(benzenesulfonyl)-4,6-dimethyl-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-(benzenesulfonyl)-4,6-dimethyl-5-nitropyridine-3-carbonitrile Traditional Name: 2-besyl-4,6-dimethyl-5-nitro-nicotinonitrile Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S/c1-9-12(8-15)14(16-10(2)13(9)17(18)19)22(20,21)11-6-4-3-5-7-11/h3-7H,1-2H3