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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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