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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-phenethyl-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=CC(=C(C=C2)Br)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25BrN4OS/c1-3-13-27-20(12-9-17-7-5-4-6-8-17)25-26-22(27)29-15-21(28)24-18-10-11-19(23)16(2)14-18/h4-8,10-11,14H,3,9,12-13,15H2,1-2H3,(H,24,28)