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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN5OS/c1-16-12-19(9-10-20(16)24)26-21(30)15-31-23-28-27-22(18-8-5-11-25-13-18)29(23)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,26,30)