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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4OS/c1-3-24-18(14-7-5-4-6-8-14)22-23-19(24)26-12-17(25)21-15-9-10-16(20)13(2)11-15/h4-11H,3,12H2,1-2H3,(H,21,25)