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

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-isopropyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-isopropyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4OS/c1-4-26-20(15-8-6-5-7-9-15)24-25-21(26)28-13-19(27)23-18-11-10-16(22)12-17(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)