5-[(1S)-1-(dimethylazaniumyl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(1S)-1-(dimethylazaniumyl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(1S)-1-(dimethylammonio)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(1S)-1-(dimethylammonio)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(1S)-1-(dimethylazaniumyl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1S)-1-(dimethylammonio)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)[S-])[NH+](C)C

Isomeric SMILES

C[C@@H](C1=NN=C(N1C2=CC=CC=C2)[S-])[NH+](C)C

InChI

InChI=1S/C12H16N4S/c1-9(15(2)3)11-13-14-12(17)16(11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,17)/t9-/m0/s1