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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C16H12BrN3OS MolecularWeight: 374.25498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3OS/c17-13-8-6-12(7-9-13)15-18-16(20-19-15)22-10-14(21)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,20)