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

Systemtic Name: ethyl 3-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-propanoate Openeye Name: ethyl 3-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-propanoate CAS Name: 3-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]-2-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylpropanoate Traditional Name: 3-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]-2-phenyl-propionic acid ethyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SCC(C2=CC=CC=C2)C(=O)OCC)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SCC(C2=CC=CC=C2)C(=O)OCC)C(=O)N(C)C

InChI

InChI=1S/C20H28N4O3S/c1-6-14(3)17-21-19(24(22-17)20(26)23(4)5)28-13-16(18(25)27-7-2)15-11-9-8-10-12-15/h8-12,14,16H,6-7,13H2,1-5H3