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

Systemtic Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O2S/c1-11(24)12-5-7-15(8-6-12)20-16(25)10-26-18-21-17(22-23-18)13-3-2-4-14(19)9-13/h2-9H,10H2,1H3,(H,20,25)(H,21,22,23)