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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4OS/c1-2-12-3-9-15(10-4-12)20-16(24)11-25-18-21-17(22-23-18)13-5-7-14(19)8-6-13/h3-10H,2,11H2,1H3,(H,20,24)(H,21,22,23)