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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-2-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-isopropyl-phenyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-isopropyl-phenyl)acetamide Formula: C27H29BrN4O2S MolecularWeight: 553.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H29BrN4O2S/c1-17(2)21-15-19(28)12-13-22(21)29-25(33)16-35-27-31-30-26(32(27)20-9-4-3-5-10-20)24-14-18-8-6-7-11-23(18)34-24/h6-8,11-15,17,20H,3-5,9-10,16H2,1-2H3,(H,29,33)