5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazole Openeye Name: 5-(p-tolylmethylsulfonyl)-1H-1,2,4-triazole CAS Name: 5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazole IUPAC Name: 5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazole Traditional Name: 5-(4-methylbenzyl)sulfonyl-1H-1,2,4-triazole Formula: C10H11N3O2S MolecularWeight: 237.27824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=NN2

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=NN2

InChI

InChI=1S/C10H11N3O2S/c1-8-2-4-9(5-3-8)6-16(14,15)10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)