4-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C17H17N4OS2- MolecularWeight: 357.47308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CN1C(=NN=C1[S-])C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)CN1C(=NN=C1[S-])C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4OS2/c1-12(13-6-3-2-4-7-13)10-18-15(22)11-21-16(19-20-17(21)23)14-8-5-9-24-14/h2-9,12H,10-11H2,1H3,(H,18,22)(H,20,23)/p-1/t12-/m1/s1