2-[3-(2-morpholin-4-ylethylsulfanylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(2-morpholin-4-ylethylsulfanylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(2-morpholinoethylsulfanylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[[2-(4-morpholinyl)ethylthio]methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-(2-morpholin-4-ylethylsulfanylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[(2-morpholinoethylthio)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]acetic acid Formula: C11H18N4O3S2 MolecularWeight: 318.41562

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSCC2=NNC(=S)N2CC(=O)O

Isomeric SMILES

C1COCCN1CCSCC2=NNC(=S)N2CC(=O)O

InChI

InChI=1S/C11H18N4O3S2/c16-10(17)7-15-9(12-13-11(15)19)8-20-6-3-14-1-4-18-5-2-14/h1-8H2,(H,13,19)(H,16,17)