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

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-isopropyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-isopropyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H19BrN4OS/c1-12(2)15-10-14(20)8-9-16(15)21-17(25)11-26-19-22-18(23-24-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,23,24)