N-(4-bromanyl-2-ethyl-6-methyl-phenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-ethyl-6-methyl-phenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-ethyl-6-methyl-phenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-ethyl-6-methyl-phenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H25BrN4OS MolecularWeight: 473.4291

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)Br)CC)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)Br)CC)C3=CC=CC=C3

InChI

InChI=1S/C22H25BrN4OS/c1-4-11-27-21(17-9-7-6-8-10-17)25-26-22(27)29-14-19(28)24-20-15(3)12-18(23)13-16(20)5-2/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,24,28)