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

Systemtic Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)acetamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c1-11-4-2-7-14(8-11)19-15(23)10-24-17-20-16(21-22-17)12-5-3-6-13(18)9-12/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)