(2E)-2-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]propanoic acid

Systemtic Name: (2E)-2-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]propanoic acid Openeye Name: (2E)-2-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)imino]propanoic acid CAS Name: (2E)-2-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]propanoic acid IUPAC Name: (2E)-2-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]propanoic acid Traditional Name: (2E)-2-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)imino]propionic acid Formula: C7H10N4O2S MolecularWeight: 214.2449

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=C(C)C(=O)O

Isomeric SMILES

CCC1=NNC(=S)N1/N=C(\C)/C(=O)O

InChI

InChI=1S/C7H10N4O2S/c1-3-5-8-9-7(14)11(5)10-4(2)6(12)13/h3H2,1-2H3,(H,9,14)(H,12,13)/b10-4+