N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-chloranyl-butanamide

Systemtic Name: N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-chloranyl-butanamide Openeye Name: N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-chloro-butanamide CAS Name: N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-chlorobutanamide IUPAC Name: N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-chlorobutanamide Traditional Name: N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-chloro-butyramide Formula: C12H21ClN4OS MolecularWeight: 304.83934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1=NNC(=N1)C(C)(C)C)Cl

Isomeric SMILES

CCC(C(=O)NCCSC1=NNC(=N1)C(C)(C)C)Cl

InChI

InChI=1S/C12H21ClN4OS/c1-5-8(13)9(18)14-6-7-19-11-15-10(16-17-11)12(2,3)4/h8H,5-7H2,1-4H3,(H,14,18)(H,15,16,17)