4,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-imidazole-2-carbonitrile

Systemtic Name: 4,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-imidazole-2-carbonitrile Openeye Name: 4,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-imidazole-2-carbonitrile CAS Name: 4,5-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonyl-2-imidazolecarbonitrile IUPAC Name: 4,5-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole-2-carbonitrile Traditional Name: 4,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-imidazole-2-carbonitrile Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C(=C(N=C2C#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C(=C(N=C2C#N)C)C

InChI

InChI=1S/C13H12N4O4S/c1-8-4-5-11(17(18)19)6-12(8)22(20,21)16-10(3)9(2)15-13(16)7-14/h4-6H,1-3H3