N-(2-bromanyl-4,5-dimethyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)Br)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4OS/c1-4-25-19(15-8-6-5-7-9-15)23-24-20(25)27-12-18(26)22-17-11-14(3)13(2)10-16(17)21/h5-11H,4,12H2,1-3H3,(H,22,26)