2-methylidene-4-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-methylidene-4-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-methylene-4-[2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 2-methylene-4-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-4-oxobutanoic acid IUPAC Name: 2-methylidene-4-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 2-[2-keto-2-[2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethylamino]ethyl]acrylic acid Formula: C10H14N4O3S MolecularWeight: 270.30816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O3S/c1-6(9(16)17)5-8(15)11-4-3-7-12-13-10(18)14(7)2/h1,3-5H2,2H3,(H,11,15)(H,13,18)(H,16,17)