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

Systemtic Name: 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1,2,4-triazole Openeye Name: 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1,2,4-triazole CAS Name: 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1,2,4-triazole IUPAC Name: 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1,2,4-triazole Traditional Name: 1-(3,5-dimethylbenzyl)sulfonyl-3-nitro-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)N2C=NC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)N2C=NC(=N2)[N+](=O)[O-])C

InChI

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