1-tert-butyl-5-(phenylmethyl)sulfonyl-1,2,3,4-tetrazole

Systemtic Name: 1-tert-butyl-5-(phenylmethyl)sulfonyl-1,2,3,4-tetrazole Openeye Name: 5-benzylsulfonyl-1-tert-butyl-tetrazole CAS Name: 1-tert-butyl-5-(phenylmethyl)sulfonyltetrazole IUPAC Name: 5-benzylsulfonyl-1-tert-butyltetrazole Traditional Name: 5-benzylsulfonyl-1-tert-butyl-tetrazole Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H16N4O2S/c1-12(2,3)16-11(13-14-15-16)19(17,18)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3