2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2,6-bis(bromanyl)-4-methyl-phenyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2,6-bis(bromanyl)-4-methyl-phenyl]ethanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-dibromo-4-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-dibromo-4-methyl-phenyl)acetamide Formula: C21H23Br2N5OS MolecularWeight: 553.31322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C21H23Br2N5OS/c1-12-9-15(22)18(16(23)10-12)25-17(29)11-30-20-27-26-19(28(20)24)13-5-7-14(8-6-13)21(2,3)4/h5-10H,11,24H2,1-4H3,(H,25,29)