3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-[(3-nitrophenyl)methyl]azanium

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-[(3-nitrophenyl)methyl]azanium Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanylpropyl-[(3-nitrophenyl)methyl]ammonium CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]propyl-[(3-nitrophenyl)methyl]ammonium IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanylpropyl-[(3-nitrophenyl)methyl]azanium Traditional Name: 3-[(1-methyltetrazol-5-yl)thio]propyl-(3-nitrobenzyl)ammonium Formula: C12H17N6O2S+ MolecularWeight: 309.36738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCCC[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O2S/c1-17-12(14-15-16-17)21-7-3-6-13-9-10-4-2-5-11(8-10)18(19)20/h2,4-5,8,13H,3,6-7,9H2,1H3/p+1