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

Systemtic Name: 5-(2-acetamidoethylsulfanyl)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Openeye Name: 5-(2-acetamidoethylsulfanyl)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide CAS Name: 5-(2-acetamidoethylthio)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide IUPAC Name: 5-(2-acetamidoethylsulfanyl)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Traditional Name: 5-(2-acetamidoethylthio)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Formula: C13H23N5O2S MolecularWeight: 313.41902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CC(=O)NCCSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C13H23N5O2S/c1-9(19)14-7-8-21-11-15-10(13(2,3)4)16-18(11)12(20)17(5)6/h7-8H2,1-6H3,(H,14,19)