5-(2-ethyl-6-methyl-phenyl)sulfonyl-1H-1,2,4-triazole

Systemtic Name: 5-(2-ethyl-6-methyl-phenyl)sulfonyl-1H-1,2,4-triazole Openeye Name: 5-(2-ethyl-6-methyl-phenyl)sulfonyl-1H-1,2,4-triazole CAS Name: 5-(2-ethyl-6-methylphenyl)sulfonyl-1H-1,2,4-triazole IUPAC Name: 5-(2-ethyl-6-methylphenyl)sulfonyl-1H-1,2,4-triazole Traditional Name: 5-(2-ethyl-6-methyl-phenyl)sulfonyl-1H-1,2,4-triazole Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1S(=O)(=O)C2=NC=NN2)C

Isomeric SMILES

CCC1=CC=CC(=C1S(=O)(=O)C2=NC=NN2)C

InChI

InChI=1S/C11H13N3O2S/c1-3-9-6-4-5-8(2)10(9)17(15,16)11-12-7-13-14-11/h4-7H,3H2,1-2H3,(H,12,13,14)