2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone hydrobromide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone hydrobromide Openeye Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone hydrobromide CAS Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone hydrobromide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone hydrobromide Traditional Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone hydrobromide Formula: C22H17BrClN3OS MolecularWeight: 486.81188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Br

InChI

InChI=1S/C22H16ClN3OS.BrH/c23-18-13-11-17(12-14-18)21-24-25-22(26(21)19-9-5-2-6-10-19)28-15-20(27)16-7-3-1-4-8-16;/h1-14H,15H2;1H