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

Systemtic Name: methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N1)SC(C2=CC=CC=C2)C(=O)OC)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SC(C2=CC=CC=C2)C(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C18H24N4O3S/c1-18(2,3)15-19-16(22(20-15)17(24)21(4)5)26-13(14(23)25-6)12-10-8-7-9-11-12/h7-11,13H,1-6H3