2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4OS/c1-3-25-19(16-10-7-11-17(21)12-16)23-24-20(25)27-13-18(26)22-14(2)15-8-5-4-6-9-15/h4-12,14H,3,13H2,1-2H3,(H,22,26)