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

Systemtic Name: ethyl 4-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C15H26N4O3S MolecularWeight: 342.45694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C15H26N4O3S/c1-7-22-11(20)9-8-10-23-13-16-12(15(2,3)4)17-19(13)14(21)18(5)6/h7-10H2,1-6H3