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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N1)SCCCC(=O)OC)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SCCCC(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C14H24N4O3S/c1-14(2,3)11-15-12(18(16-11)13(20)17(4)5)22-9-7-8-10(19)21-6/h7-9H2,1-6H3