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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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