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

Systemtic Name: S-methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethanethioate Openeye Name: S-methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethanethioate CAS Name: 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]ethanethioic acid S-methyl ester IUPAC Name: S-methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethanethioate Traditional Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]ethanethioic acid S-methyl ester Formula: C12H20N4O2S2 MolecularWeight: 316.4428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N1)SCC(=O)SC)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SCC(=O)SC)C(=O)N(C)C

InChI

InChI=1S/C12H20N4O2S2/c1-12(2,3)9-13-10(20-7-8(17)19-6)16(14-9)11(18)15(4)5/h7H2,1-6H3