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

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C15H20BrN5OS MolecularWeight: 398.3212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN5OS/c1-9-7-10(5-6-11(9)16)18-12(22)8-23-14-20-19-13(21(14)17)15(2,3)4/h5-7H,8,17H2,1-4H3,(H,18,22)