2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-fluoro-2-methyl-phenyl)acetamide Formula: C18H16BrFN4OS MolecularWeight: 435.313243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrFN4OS/c1-11-3-8-14(20)9-15(11)21-16(25)10-26-18-23-22-17(24(18)2)12-4-6-13(19)7-5-12/h3-9H,10H2,1-2H3,(H,21,25)