2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one hydrobromide

Systemtic Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one hydrobromide Openeye Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one hydrobromide CAS Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone hydrobromide IUPAC Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one hydrobromide Traditional Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one hydrobromide Formula: C23H19Br2N3OS MolecularWeight: 545.28946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br.Br

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br.Br

InChI

InChI=1S/C23H18BrN3OS.BrH/c1-16(21(28)17-9-4-2-5-10-17)29-23-26-25-22(18-11-8-12-19(24)15-18)27(23)20-13-6-3-7-14-20;/h2-16H,1H3;1H