2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: N-benzyl-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4OS/c1-21(2,3)26(13-15-7-5-4-6-8-15)18(27)14-28-20-23-19(24-25-20)16-9-11-17(22)12-10-16/h4-12H,13-14H2,1-3H3,(H,23,24,25)