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

Systemtic Name: ethyl 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(4-amino-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=NN=CN1N

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=CN1N

InChI

InChI=1S/C7H12N4O2S/c1-3-13-6(12)5(2)14-7-10-9-4-11(7)8/h4-5H,3,8H2,1-2H3