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

Systemtic Name: diethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanedioate Openeye Name: diethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanedioate CAS Name: 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]butanedioate Traditional Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]succinic acid diethyl ester Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C17H28N4O5S/c1-8-25-12(22)10-11(13(23)26-9-2)27-15-18-14(17(3,4)5)19-21(15)16(24)20(6)7/h11H,8-10H2,1-7H3