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

Systemtic Name: ethyl 2-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylsulfanyl]ethanoate Openeye Name: ethyl 2-(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)sulfanylacetate CAS Name: 2-[[[5-amino-3-(4-morpholinyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(5-amino-3-morpholin-4-yl-1,2,4-triazole-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)thio]acetic acid ethyl ester Formula: C11H17N5O3S2 MolecularWeight: 331.41438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5O3S2/c1-2-19-8(17)7-21-11(20)16-9(12)13-10(14-16)15-3-5-18-6-4-15/h2-7H2,1H3,(H2,12,13,14)