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

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-isopropyl-phenyl)-2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-isopropyl-phenyl)-2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H31BrN4OS MolecularWeight: 515.50884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(C)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(C)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H31BrN4OS/c1-7-30-23(17-8-10-18(11-9-17)25(4,5)6)28-29-24(30)32-15-22(31)27-21-13-12-19(26)14-20(21)16(2)3/h8-14,16H,7,15H2,1-6H3,(H,27,31)