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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl-(3-phenylprop-2-ynyl)azanium Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanylethyl-(3-phenylprop-2-ynyl)ammonium CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]ethyl-(3-phenylprop-2-ynyl)ammonium IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanylethyl-(3-phenylprop-2-ynyl)azanium Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]ethyl-(3-phenylprop-2-ynyl)ammonium Formula: C13H16N5S+ MolecularWeight: 274.36464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC[NH2+]CC#CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SCC[NH2+]CC#CC2=CC=CC=C2

InChI

InChI=1S/C13H15N5S/c1-18-13(15-16-17-18)19-11-10-14-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,14H,9-11H2,1H3/p+1