5-(phenylmethyl)sulfonyl-1H-1,2,4-triazole

Systemtic Name: 5-(phenylmethyl)sulfonyl-1H-1,2,4-triazole Openeye Name: 5-benzylsulfonyl-1H-1,2,4-triazole CAS Name: 5-(phenylmethyl)sulfonyl-1H-1,2,4-triazole IUPAC Name: 5-benzylsulfonyl-1H-1,2,4-triazole Traditional Name: 5-benzylsulfonyl-1H-1,2,4-triazole Formula: C9H9N3O2S MolecularWeight: 223.25166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O2S/c13-15(14,9-10-7-11-12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11,12)