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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C24H21BrN4OS/c1-17-12-13-21(20(25)14-17)26-22(30)16-31-24-28-27-23(19-10-6-3-7-11-19)29(24)15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3,(H,26,30)