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

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C21H24BrN5OS MolecularWeight: 474.41716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN5OS/c1-13-5-10-17(16(22)11-13)24-18(28)12-29-20-26-25-19(27(20)23)14-6-8-15(9-7-14)21(2,3)4/h5-11H,12,23H2,1-4H3,(H,24,28)