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

Systemtic Name: 5-butyl-1-(phenylmethyl)-1,2,3,4-tetrazole Openeye Name: 1-benzyl-5-butyl-tetrazole CAS Name: 5-butyl-1-(phenylmethyl)tetrazole IUPAC Name: 1-benzyl-5-butyltetrazole Traditional Name: 1-benzyl-5-butyl-tetrazole Formula: C12H16N4 MolecularWeight: 216.28224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=NN1CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN=NN1CC2=CC=CC=C2

InChI

InChI=1S/C12H16N4/c1-2-3-9-12-13-14-15-16(12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3