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

Systemtic Name: methyl 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C9H16N4O2S MolecularWeight: 244.31394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)OC)CN

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)OC)CN

InChI

InChI=1S/C9H16N4O2S/c1-3-13-7(6-10)11-12-9(13)16-5-4-8(14)15-2/h3-6,10H2,1-2H3