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

Systemtic Name: ethyl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propionic acid ethyl ester Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NNC(=N1)N

Isomeric SMILES

CCOC(=O)C(C)SC1=NNC(=N1)N

InChI

InChI=1S/C7H12N4O2S/c1-3-13-5(12)4(2)14-7-9-6(8)10-11-7/h4H,3H2,1-2H3,(H3,8,9,10,11)