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

Systemtic Name: 5-hexylsulfinyl-1-(4-nitrophenyl)-1,2,3,4-tetrazole Openeye Name: 5-hexylsulfinyl-1-(4-nitrophenyl)tetrazole CAS Name: 5-hexylsulfinyl-1-(4-nitrophenyl)tetrazole IUPAC Name: 5-hexylsulfinyl-1-(4-nitrophenyl)tetrazole Traditional Name: 5-hexylsulfinyl-1-(4-nitrophenyl)tetrazole Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O3S/c1-2-3-4-5-10-22(21)13-14-15-16-17(13)11-6-8-12(9-7-11)18(19)20/h6-9H,2-5,10H2,1H3