1-(2-methylpropyl)-5-phenethylsulfonyl-1,2,3,4-tetrazole

Systemtic Name: 1-(2-methylpropyl)-5-phenethylsulfonyl-1,2,3,4-tetrazole Openeye Name: 1-isobutyl-5-phenethylsulfonyl-tetrazole CAS Name: 1-(2-methylpropyl)-5-phenethylsulfonyltetrazole IUPAC Name: 1-(2-methylpropyl)-5-phenethylsulfonyltetrazole Traditional Name: 1-isobutyl-5-phenethylsulfonyl-tetrazole Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=N1)S(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=NN=N1)S(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H18N4O2S/c1-11(2)10-17-13(14-15-16-17)20(18,19)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3