1-[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]-1,2,3,4-tetrazole-5-thiolate

Systemtic Name: 1-[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]-1,2,3,4-tetrazole-5-thiolate Openeye Name: 1-[(2S)-2-(diethylammonio)-2-phenyl-ethyl]tetrazole-5-thiolate CAS Name: 1-[(2S)-2-(diethylammonio)-2-phenylethyl]-5-tetrazolethiolate IUPAC Name: 1-[(2S)-2-(diethylazaniumyl)-2-phenylethyl]tetrazole-5-thiolate Traditional Name: 1-[(2S)-2-(diethylammonio)-2-phenyl-ethyl]tetrazole-5-thiolate Formula: C13H19N5S MolecularWeight: 277.38846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CN1C(=NN=N1)[S-])C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CN1C(=NN=N1)[S-])C2=CC=CC=C2

InChI

InChI=1S/C13H19N5S/c1-3-17(4-2)12(11-8-6-5-7-9-11)10-18-13(19)14-15-16-18/h5-9,12H,3-4,10H2,1-2H3,(H,14,16,19)/t12-/m1/s1