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

Systemtic Name: ethyl 3-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C14H24N4O3S MolecularWeight: 328.43036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SCCC(=O)OCC)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SCCC(=O)OCC)C(=O)N(C)C

InChI

InChI=1S/C14H24N4O3S/c1-6-10(3)12-15-13(18(16-12)14(20)17(4)5)22-9-8-11(19)21-7-2/h10H,6-9H2,1-5H3