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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[4-phenyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C22H18BrN5OS/c1-15-13-16(23)10-11-18(15)25-20(29)14-30-22-27-26-21(19-9-5-6-12-24-19)28(22)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,25,29)