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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl-[(3-nitrophenyl)methyl]azanium Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanylethyl-[(3-nitrophenyl)methyl]ammonium CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]ethyl-[(3-nitrophenyl)methyl]ammonium IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanylethyl-[(3-nitrophenyl)methyl]azanium Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]ethyl-(3-nitrobenzyl)ammonium Formula: C11H15N6O2S+ MolecularWeight: 295.3408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N6O2S/c1-16-11(13-14-15-16)20-6-5-12-8-9-3-2-4-10(7-9)17(18)19/h2-4,7,12H,5-6,8H2,1H3/p+1