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

Systemtic Name: methyl 3-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H24N4O3S MolecularWeight: 328.43036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O3S/c1-9(8-10(19)21-7)22-12-15-11(14(2,3)4)16-18(12)13(20)17(5)6/h9H,8H2,1-7H3