5-(3-methylbutylsulfonyl)-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-(3-methylbutylsulfonyl)-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-isopentylsulfonyl-1-phenyl-tetrazole CAS Name: 5-(3-methylbutylsulfonyl)-1-phenyltetrazole IUPAC Name: 5-(3-methylbutylsulfonyl)-1-phenyltetrazole Traditional Name: 5-isoamylsulfonyl-1-phenyl-tetrazole Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H16N4O2S/c1-10(2)8-9-19(17,18)12-13-14-15-16(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3