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

Systemtic Name: 1-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C20H20BrN3OS MolecularWeight: 430.3613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c1-20(2,3)17(25)13-26-19-23-22-18(14-8-7-9-15(21)12-14)24(19)16-10-5-4-6-11-16/h4-12H,13H2,1-3H3