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

Systemtic Name: 4-[3-(2-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-(2-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-(2-bromophenyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-(2-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-(2-bromophenyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H20BrN5OS MolecularWeight: 470.3854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=CC=C4Br

Isomeric SMILES

CCSC1=NN=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=CC=C4Br

InChI

InChI=1S/C21H20BrN5OS/c1-4-29-21-24-23-19(16-12-8-9-13-17(16)22)26(21)18-14(2)25(3)27(20(18)28)15-10-6-5-7-11-15/h5-13H,4H2,1-3H3