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

Systemtic Name: ethyl 2-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylsulfanyl]propanoate Openeye Name: ethyl 2-(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)sulfanylpropanoate CAS Name: 2-[[[5-amino-3-(4-morpholinyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(5-amino-3-morpholin-4-yl-1,2,4-triazole-1-carbothioyl)sulfanylpropanoate Traditional Name: 2-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)thio]propionic acid ethyl ester Formula: C12H19N5O3S2 MolecularWeight: 345.44096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC(=S)N1C(=NC(=N1)N2CCOCC2)N

Isomeric SMILES

CCOC(=O)C(C)SC(=S)N1C(=NC(=N1)N2CCOCC2)N

InChI

InChI=1S/C12H19N5O3S2/c1-3-20-9(18)8(2)22-12(21)17-10(13)14-11(15-17)16-4-6-19-7-5-16/h8H,3-7H2,1-2H3,(H2,13,14,15)