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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-chloro-phenyl)acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-chloro-phenyl)acetamide Formula: C19H18BrClN4OS MolecularWeight: 465.79442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H18BrClN4OS/c1-2-25-17(10-13-6-4-3-5-7-13)23-24-19(25)27-12-18(26)22-16-9-8-14(20)11-15(16)21/h3-9,11H,2,10,12H2,1H3,(H,22,26)