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

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-isopropyl-phenyl)acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide Traditional Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-isopropyl-phenyl)acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4OS/c1-13(2)16-11-15(21)8-9-17(16)22-19(26)12-27-20-23-18(24-25-20)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,22,26)(H,23,24,25)