propan-2-yl 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: propan-2-yl 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: isopropyl 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 3-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]butyric acid isopropyl ester Formula: C16H28N4O3S MolecularWeight: 356.48352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O3S/c1-10(2)23-12(21)9-11(3)24-14-17-13(16(4,5)6)18-20(14)15(22)19(7)8/h10-11H,9H2,1-8H3