N-(4-bromanyl-2,6-dimethyl-phenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H20BrN5OS MolecularWeight: 494.4068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)C)Br

InChI

InChI=1S/C23H20BrN5OS/c1-15-12-18(24)13-16(2)21(15)26-20(30)14-31-23-28-27-22(17-8-10-25-11-9-17)29(23)19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,26,30)