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

Systemtic Name: 5-[(1S)-1-(dimethylazaniumyl)ethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-[(1S)-1-(dimethylammonio)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[(1S)-1-(dimethylammonio)ethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-[(1S)-1-(dimethylazaniumyl)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-[(1S)-1-(dimethylammonio)ethyl]-1,2,4-triazole-3-thiolate Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1CC2=CC=CC=C2)[S-])[NH+](C)C

Isomeric SMILES

C[C@@H](C1=NN=C(N1CC2=CC=CC=C2)[S-])[NH+](C)C

InChI

InChI=1S/C13H18N4S/c1-10(16(2)3)12-14-15-13(18)17(12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,18)/t10-/m0/s1