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

Systemtic Name: methyl 2-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylamino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C10H16N6O3S MolecularWeight: 300.33744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N6O3S/c1-18-7(17)6-12-10(20)16-8(11)13-9(14-16)15-2-4-19-5-3-15/h2-6H2,1H3,(H,12,20)(H2,11,13,14)