[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanylmethyl thiocyanate

Systemtic Name: [5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanylmethyl thiocyanate Openeye Name: [5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]methyl ester IUPAC Name: [5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]methyl ester Formula: C11H17N5OS2 MolecularWeight: 299.41558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N1)SCSC#N)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SCSC#N)C(=O)N(C)C

InChI

InChI=1S/C11H17N5OS2/c1-11(2,3)8-13-9(19-7-18-6-12)16(14-8)10(17)15(4)5/h7H2,1-5H3