(E)-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pent-3-enoic acid

Systemtic Name: (E)-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pent-3-enoic acid Openeye Name: (E)-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pent-3-enoic acid CAS Name: (E)-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-pentenoic acid IUPAC Name: (E)-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pent-3-enoic acid Traditional Name: (E)-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pent-3-enoic acid Formula: C8H11N3O2S MolecularWeight: 213.25684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CC=CCC(=O)O

Isomeric SMILES

CN1C(=NNC1=S)C/C=C/CC(=O)O

InChI

InChI=1S/C8H11N3O2S/c1-11-6(9-10-8(11)14)4-2-3-5-7(12)13/h2-3H,4-5H2,1H3,(H,10,14)(H,12,13)/b3-2+