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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone Openeye Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone CAS Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,2-diphenylethanone IUPAC Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone Traditional Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,2-diphenyl-ethanone Formula: C28H20BrN3OS MolecularWeight: 526.4469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H20BrN3OS/c29-23-16-10-15-22(19-23)27-30-31-28(32(27)24-17-8-3-9-18-24)34-26(21-13-6-2-7-14-21)25(33)20-11-4-1-5-12-20/h1-19,26H