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

Systemtic Name: N-(4-bromanyl-2,3-dimethyl-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2,3-dimethyl-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2,3-dimethyl-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C24H21BrN4OS MolecularWeight: 493.41874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21BrN4OS/c1-16-17(2)21(14-13-20(16)25)26-22(30)15-31-24-28-27-23(18-9-5-3-6-10-18)29(24)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3,(H,26,30)