1-(4-nitrophenyl)-5-octylsulfinyl-1,2,3,4-tetrazole

Systemtic Name: 1-(4-nitrophenyl)-5-octylsulfinyl-1,2,3,4-tetrazole Openeye Name: 1-(4-nitrophenyl)-5-octylsulfinyl-tetrazole CAS Name: 1-(4-nitrophenyl)-5-octylsulfinyltetrazole IUPAC Name: 1-(4-nitrophenyl)-5-octylsulfinyltetrazole Traditional Name: 1-(4-nitrophenyl)-5-octylsulfinyl-tetrazole Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C1=NN=NN1C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCS(=O)C1=NN=NN1C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O3S/c1-2-3-4-5-6-7-12-24(23)15-16-17-18-19(15)13-8-10-14(11-9-13)20(21)22/h8-11H,2-7,12H2,1H3