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

Systemtic Name: tert-butyl 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C17H30N4O3S MolecularWeight: 370.5101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4O3S/c1-11(10-12(22)24-17(5,6)7)25-14-18-13(16(2,3)4)19-21(14)15(23)20(8)9/h11H,10H2,1-9H3