ethyl 2-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylamino]ethanoate

Systemtic Name: ethyl 2-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylamino]ethanoate Openeye Name: ethyl 2-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)amino]acetate CAS Name: 2-[[[5-amino-3-(4-morpholinyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-amino-3-morpholin-4-yl-1,2,4-triazole-1-carbothioyl)amino]acetate Traditional Name: 2-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)amino]acetic acid ethyl ester Formula: C11H18N6O3S MolecularWeight: 314.36402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N1C(=NC(=N1)N2CCOCC2)N

Isomeric SMILES

CCOC(=O)CNC(=S)N1C(=NC(=N1)N2CCOCC2)N

InChI

InChI=1S/C11H18N6O3S/c1-2-20-8(18)7-13-11(21)17-9(12)14-10(15-17)16-3-5-19-6-4-16/h2-7H2,1H3,(H,13,21)(H2,12,14,15)