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

Systemtic Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[5-[(3-bromophenyl)methylthio]-1-tetrazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[5-[(3-bromobenzyl)thio]tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C19H17BrN6OS MolecularWeight: 457.34688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H17BrN6OS/c1-13-17(18(27)26(24(13)2)16-9-4-3-5-10-16)25-19(21-22-23-25)28-12-14-7-6-8-15(20)11-14/h3-11H,12H2,1-2H3