5-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1H-1,2,4-triazole

Systemtic Name: 5-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1H-1,2,4-triazole Openeye Name: 5-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1H-1,2,4-triazole CAS Name: 5-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1H-1,2,4-triazole IUPAC Name: 5-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1H-1,2,4-triazole Traditional Name: 5-(3,5-dimethylbenzyl)sulfonyl-3-nitro-1H-1,2,4-triazole Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)C2=NC(=NN2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)C2=NC(=NN2)[N+](=O)[O-])C

InChI

InChI=1S/C11H12N4O4S/c1-7-3-8(2)5-9(4-7)6-20(18,19)11-12-10(13-14-11)15(16)17/h3-5H,6H2,1-2H3,(H,12,13,14)