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

Systemtic Name: methyl 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]hexanoate Openeye Name: methyl 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]hexanoate CAS Name: 2-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]hexanoic acid methyl ester IUPAC Name: methyl 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]hexanoate Traditional Name: 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]hexanoic acid methyl ester Formula: C16H28N4O3S MolecularWeight: 356.48352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)SC1=NC(=NN1C(=O)N(C)C)C(C)CC

Isomeric SMILES

CCCCC(C(=O)OC)SC1=NC(=NN1C(=O)N(C)C)C(C)CC

InChI

InChI=1S/C16H28N4O3S/c1-7-9-10-12(14(21)23-6)24-15-17-13(11(3)8-2)18-20(15)16(22)19(4)5/h11-12H,7-10H2,1-6H3