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

Systemtic Name: methyl 3-[[5-(1-azanylbutyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(1-aminobutyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(1-aminobutyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(1-aminobutyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(1-aminobutyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C12H22N4O2S MolecularWeight: 286.39368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC)SCCC(=O)OC)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC)SCCC(=O)OC)N

InChI

InChI=1S/C12H22N4O2S/c1-4-6-9(13)11-14-15-12(16(11)5-2)19-8-7-10(17)18-3/h9H,4-8,13H2,1-3H3