(2S)-2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate

Systemtic Name: (2S)-2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate Openeye Name: (2S)-2-[3-(1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoate CAS Name: (2S)-2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate IUPAC Name: (2S)-2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate Traditional Name: (2S)-2-[3-(1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionate Formula: C8H8N5O2S- MolecularWeight: 238.24642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C(=NNC1=S)C2=CC=NN2

Isomeric SMILES

C[C@@H](C(=O)[O-])N1C(=NNC1=S)C2=CC=NN2

InChI

InChI=1S/C8H9N5O2S/c1-4(7(14)15)13-6(11-12-8(13)16)5-2-3-9-10-5/h2-4H,1H3,(H,9,10)(H,12,16)(H,14,15)/p-1/t4-/m0/s1