1-[[2-(2-bromoethylsulfanyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-pyrazole

Systemtic Name: 1-[[2-(2-bromoethylsulfanyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-pyrazole Openeye Name: 1-[[2-(2-bromoethylsulfanyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-pyrazole CAS Name: 1-[[2-(2-bromoethylthio)phenyl]-(3,5-dimethyl-1-pyrazolyl)methyl]-3,5-dimethylpyrazole IUPAC Name: 1-[[2-(2-bromoethylsulfanyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole Traditional Name: 1-[[2-(2-bromoethylthio)phenyl]-(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-pyrazole Formula: C19H23BrN4S MolecularWeight: 419.38172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C2=CC=CC=C2SCCBr)N3C(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC(=NN1C(C2=CC=CC=C2SCCBr)N3C(=CC(=N3)C)C)C

InChI

InChI=1S/C19H23BrN4S/c1-13-11-15(3)23(21-13)19(24-16(4)12-14(2)22-24)17-7-5-6-8-18(17)25-10-9-20/h5-8,11-12,19H,9-10H2,1-4H3