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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-tert-butyl-acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-tert-butyl-acetamide Formula: C21H24BrN5OS MolecularWeight: 474.41716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C21H24BrN5OS/c1-21(2,3)26(13-15-9-5-4-6-10-15)18(28)14-29-20-25-24-19(27(20)23)16-11-7-8-12-17(16)22/h4-12H,13-14,23H2,1-3H3