3-tert-butyl-N,N-dimethyl-5-(1-oxidanylidenebutan-2-ylsulfanyl)-1,2,4-triazole-1-carboxamide

Systemtic Name: 3-tert-butyl-N,N-dimethyl-5-(1-oxidanylidenebutan-2-ylsulfanyl)-1,2,4-triazole-1-carboxamide Openeye Name: 3-tert-butyl-5-(1-formylpropylsulfanyl)-N,N-dimethyl-1,2,4-triazole-1-carboxamide CAS Name: 3-tert-butyl-N,N-dimethyl-5-(1-oxobutan-2-ylthio)-1,2,4-triazole-1-carboxamide IUPAC Name: 3-tert-butyl-N,N-dimethyl-5-(1-oxobutan-2-ylsulfanyl)-1,2,4-triazole-1-carboxamide Traditional Name: 3-tert-butyl-5-(1-formylpropylthio)-N,N-dimethyl-1,2,4-triazole-1-carboxamide Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CCC(C=O)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C13H22N4O2S/c1-7-9(8-18)20-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h8-9H,7H2,1-6H3